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

C16H18N2O2 — CID 79602874

IUPAC(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1O
InChIInChI=1S/C16H18N2O2/c1-11-6-5-9-14(15(11)19)18-16(20)13(17)10-12-7-3-2-4-8-12/h2-9,13,19H,10,17H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyBBNJPQORQUKGKW-ZDUSSCGKSA-N
MW270.33 g/mol
LogP2.21
Rot. Bonds4

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

(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide (PubChem CID 79602874) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
PubChem CID79602874
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1O
InChIInChI=1S/C16H18N2O2/c1-11-6-5-9-14(15(11)19)18-16(20)13(17)10-12-7-3-2-4-8-12/h2-9,13,19H,10,17H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyBBNJPQORQUKGKW-ZDUSSCGKSA-N
XLogP2.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
(2S)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3-(4-hydroxyphenyl)propanamide
CID 81495580
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide (CID 79602874) is (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide is Cc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1O.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
The InChIKey is BBNJPQORQUKGKW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-5-9-14(15(11)19)18-16(20)13(17)10-12-7-3-2-4-8-12/h2-9,13,19H,10,17H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 79602874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).