(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide

C17H19N3O2 — CID 22691247

IUPAC(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-12(21)19-14-8-5-9-15(11-14)20-17(22)16(18)10-13-6-3-2-4-7-13/h2-9,11,16H,10,18H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyZFNRPLOOXQTGHW-INIZCTEOSA-N
MW297.36 g/mol
LogP2.15
Rot. Bonds5

About (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide

(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide (PubChem CID 22691247) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
PubChem CID22691247
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-12(21)19-14-8-5-9-15(11-14)20-17(22)16(18)10-13-6-3-2-4-7-13/h2-9,11,16H,10,18H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyZFNRPLOOXQTGHW-INIZCTEOSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
CID 57200354
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
CID 154890074
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide
CID 119314874
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide?
The IUPAC name of (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide (CID 22691247) is (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide is CC(=O)Nc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1.
What is the InChIKey of (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide?
The InChIKey is ZFNRPLOOXQTGHW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(21)19-14-8-5-9-15(11-14)20-17(22)16(18)10-13-6-3-2-4-7-13/h2-9,11,16H,10,18H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide?
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide has a molecular weight of 297.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide is sourced from PubChem (CID 22691247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).