(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide

C16H18N2O2 — CID 78995809

IUPAC(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(O)ccc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-11-9-13(19)7-8-15(11)18-16(20)14(17)10-12-5-3-2-4-6-12/h2-9,14,19H,10,17H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyDBWREHDCVZGPLT-AWEZNQCLSA-N
MW270.33 g/mol
LogP2.21
Rot. Bonds4

About (2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide

(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide (PubChem CID 78995809) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
PubChem CID78995809
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
SMILESCc1cc(O)ccc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-11-9-13(19)7-8-15(11)18-16(20)14(17)10-12-5-3-2-4-6-12/h2-9,14,19H,10,17H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyDBWREHDCVZGPLT-AWEZNQCLSA-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
CID 119299831
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 104877710
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2S)-2-amino-N-(4-iodo-2-methylphenyl)-4-phenylbutanamide
CID 104983994
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61149131
(2S)-2-amino-N-[4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]butyl]-3-phenylpropanamide
CID 10960900
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide (CID 78995809) is (2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide is Cc1cc(O)ccc1NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide?
The InChIKey is DBWREHDCVZGPLT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-9-13(19)7-8-15(11)18-16(20)14(17)10-12-5-3-2-4-6-12/h2-9,14,19H,10,17H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(4-hydroxy-2-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-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 78995809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).