2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide

C16H18N2O2 — CID 114927368

IUPAC2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H18N2O2/c17-15(10-9-12-5-2-1-3-6-12)16(20)18-13-7-4-8-14(19)11-13/h1-8,11,15,19H,9-10,17H2,(H,18,20)
InChIKeyZSHSKNILBGSEQC-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.29
Rot. Bonds5

About 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide

2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide (PubChem CID 114927368) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
PubChem CID114927368
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H18N2O2/c17-15(10-9-12-5-2-1-3-6-12)16(20)18-13-7-4-8-14(19)11-13/h1-8,11,15,19H,9-10,17H2,(H,18,20)
InChIKeyZSHSKNILBGSEQC-UHFFFAOYSA-N
XLogP2.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51973354
(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
(2S)-2-amino-N-(3-bromo-4-fluorophenyl)-4-phenylbutanamide
CID 104984797
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
CID 119306590
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
(2S)-2-amino-4-methylsulfanyl-N-[3-(3-phenylpropyl)phenyl]butanamide;hydrochloride
CID 119316029
benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 91699856
(2S)-2-amino-4-methylsulfanyl-N-[3-(2-phenylethoxymethyl)phenyl]butanamide
CID 119306583
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide (CID 114927368) is 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide is NC(CCc1ccccc1)C(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide?
The InChIKey is ZSHSKNILBGSEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-15(10-9-12-5-2-1-3-6-12)16(20)18-13-7-4-8-14(19)11-13/h1-8,11,15,19H,9-10,17H2,(H,18,20).
What are the key properties of 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide?
2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide has a molecular weight of 270.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide is sourced from PubChem (CID 114927368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).