(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide

C15H22N2O3 — CID 102031408

IUPAC(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide
SMILESCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O
InChIInChI=1S/C15H22N2O3/c1-3-4-9-16-15(20)14(17-11(2)18)10-12-5-7-13(19)8-6-12/h5-8,14,19H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,18)/t14-/m0/s1
InChIKeyYZADLNUSVCVWIC-AWEZNQCLSA-N
MW278.35 g/mol
LogP1.36
Rot. Bonds7

About (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide

(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide (PubChem CID 102031408) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide
PubChem CID102031408
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide
SMILESCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O
InChIInChI=1S/C15H22N2O3/c1-3-4-9-16-15(20)14(17-11(2)18)10-12-5-7-13(19)8-6-12/h5-8,14,19H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,18)/t14-/m0/s1
InChIKeyYZADLNUSVCVWIC-AWEZNQCLSA-N
XLogP1.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]butanamide
CID 59878928
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
(2S)-2-acetamido-N-[8-(3-aminopropylamino)octyl]-3-(4-hydroxyphenyl)propanamide
CID 10145999
butyl 2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 590199
2-acetamido-N-(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
CID 87927995
butyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate
CID 6426993
2-acetamido-N-but-2-ynyl-3-(4-hydroxyphenyl)propanamide
CID 126831870
(2S)-2-amino-N-[2-[[(2S)-1-[[2-(butylamino)-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 25153688
(2S)-2-acetamido-N-[8-(3-aminopropylamino)octyl]-3-(4-hydroxyphenyl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 10145998
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 71695731
2-[3-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanamide
CID 70938229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide (CID 102031408) is (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide is CCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide?
The InChIKey is YZADLNUSVCVWIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-9-16-15(20)14(17-11(2)18)10-12-5-7-13(19)8-6-12/h5-8,14,19H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide?
(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 102031408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).