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N-[(2S)-1-(12-aminododecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide

N-[(2S)-1-(12-aminododecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide structure

CAS No:
133358-74-4
Formula:
C25H43N3O3
Chemical Name:
N-[(2S)-1-(12-aminododecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
Synonyms:
dideaza-philanthotoxin-12;dideaza-PhTX-12;Dideaza-philanthotoxin-12;CHEMBL15998;133358-74-4;Dideaza-phtx-12;DTXSID70158087;BDBM50094299;N-[1-(12-Amino-dodecylcarbamoyl)-2-(4-hydroxy-phenyl)-ethyl]-butyramide;Benzenepropanamide, N-(12-aminododecyl)-4-hydroxy-alpha-((1-oxobutyl)amino)-, (S)-;N-[(S)-1-(12-Amino-dodecylcarbamoyl)-2-(4-hydroxy-phenyl)-ethyl]-butyramide

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N-[(2S)-1-(12-aminododecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Basic Attributes

Molecular Weight：

433.6 g/mol

Exact Mass：

433.33044224 g/mol

DSSTox ID：

DTXSID70158087

Characteristics

PSA：

104 Å²

Drug Information

MeSH Entry Terms：

dideaza-philanthotoxin-12

Computed Properties

Molecular Weight:433.6
XLogP3:5.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:18
Exact Mass:433.33044224
Monoisotopic Mass:433.33044224
Topological Polar Surface Area:104
Heavy Atom Count:31
Complexity:465
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(2S)-1-(12-aminododecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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