(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide

C16H18N2O2 — CID 101486990

IUPAC(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
SMILESCOc1ccc([C@@H](N)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-20-14-9-7-12(8-10-14)15(17)11-16(19)18-13-5-3-2-4-6-13/h2-10,15H,11,17H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyUYQDYMRJZCIBHH-HNNXBMFYSA-N
MW270.33 g/mol
LogP2.72
Rot. Bonds5

About (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide

(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide (PubChem CID 101486990) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
PubChem CID101486990
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
SMILESCOc1ccc([C@@H](N)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-20-14-9-7-12(8-10-14)15(17)11-16(19)18-13-5-3-2-4-6-13/h2-10,15H,11,17H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyUYQDYMRJZCIBHH-HNNXBMFYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 102695385
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
methyl 4-[4-[(3-amino-3-phenylpropanoyl)amino]phenoxy]butanoate;hydrochloride
CID 119951488
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide?
The IUPAC name of (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide (CID 101486990) is (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide.
What is the SMILES notation for (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide?
The canonical SMILES for (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide is COc1ccc([C@@H](N)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide?
The InChIKey is UYQDYMRJZCIBHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-14-9-7-12(8-10-14)15(17)11-16(19)18-13-5-3-2-4-6-13/h2-10,15H,11,17H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide?
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide is sourced from PubChem (CID 101486990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).