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

C16H18N2O — CID 22691205

IUPAC(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1ccccc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H18N2O/c1-12-7-5-6-10-15(12)18-16(19)14(17)11-13-8-3-2-4-9-13/h2-10,14H,11,17H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyBYUGLEDJVBZJND-AWEZNQCLSA-N
MW254.33 g/mol
LogP2.50
Rot. Bonds4

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

(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide (PubChem CID 22691205) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
PubChem CID22691205
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1ccccc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H18N2O/c1-12-7-5-6-10-15(12)18-16(19)14(17)11-13-8-3-2-4-9-13/h2-10,14H,11,17H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyBYUGLEDJVBZJND-AWEZNQCLSA-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)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
ethyl (2R)-2-benzyl-3-(2-methylanilino)-3-oxopropanoate
CID 2288463
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
CID 119284377

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide (CID 22691205) is (2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide is Cc1ccccc1NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide?
The InChIKey is BYUGLEDJVBZJND-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-7-5-6-10-15(12)18-16(19)14(17)11-13-8-3-2-4-9-13/h2-10,14H,11,17H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-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-(2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 22691205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).