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

C16H18N2O — CID 22691206

IUPAC(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-12-6-5-9-14(10-12)18-16(19)15(17)11-13-7-3-2-4-8-13/h2-10,15H,11,17H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyYHGGNSYKZHCBBQ-HNNXBMFYSA-N
MW254.33 g/mol
LogP2.50
Rot. Bonds4

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

(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide (PubChem CID 22691206) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
PubChem CID22691206
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-12-6-5-9-14(10-12)18-16(19)15(17)11-13-7-3-2-4-8-13/h2-10,15H,11,17H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyYHGGNSYKZHCBBQ-HNNXBMFYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
CID 154890074
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide (CID 22691206) is (2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide is Cc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1.
What is the InChIKey of (2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide?
The InChIKey is YHGGNSYKZHCBBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-6-5-9-14(10-12)18-16(19)15(17)11-13-7-3-2-4-8-13/h2-10,15H,11,17H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 22691206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).