(2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide

C21H20N2O2 — CID 95567469

IUPAC(2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ccccc1
InChIInChI=1S/C21H20N2O2/c22-21(25)20(16-9-5-2-6-10-16)23-14-18-13-17(11-12-19(18)24)15-7-3-1-4-8-15/h1-13,20,23-24H,14H2,(H2,22,25)/t20-/m0/s1
InChIKeyPPHHKRWBTWXSGY-FQEVSTJZSA-N
MW332.40 g/mol
LogP3.38
Rot. Bonds6

About (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide

(2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide (PubChem CID 95567469) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide
PubChem CID95567469
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ccccc1
InChIInChI=1S/C21H20N2O2/c22-21(25)20(16-9-5-2-6-10-16)23-14-18-13-17(11-12-19(18)24)15-7-3-1-4-8-15/h1-13,20,23-24H,14H2,(H2,22,25)/t20-/m0/s1
InChIKeyPPHHKRWBTWXSGY-FQEVSTJZSA-N
XLogP3.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[(1R,2R)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-1,2-diphenylethyl]amino]methyl]-4-phenylphenol
CID 102469425
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
(2R)-2-[(2-fluorophenyl)methylamino]-2-phenylacetamide
CID 33473493
2-phenyl-2-[(4-pyridin-3-ylphenyl)methylamino]acetamide
CID 75374761
4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 95296775
(2R)-2-[(2-ethoxyphenyl)methylamino]-2-phenylacetamide
CID 95582076
2-[(2-methoxy-5-methylphenyl)methylamino]-2-phenylacetamide
CID 56811840
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
(2S)-2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-phenylacetamide
CID 33475058
2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide
CID 71990803
(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide
CID 94192857

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide (CID 95567469) is (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide is NC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide?
The InChIKey is PPHHKRWBTWXSGY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N2O2/c22-21(25)20(16-9-5-2-6-10-16)23-14-18-13-17(11-12-19(18)24)15-7-3-1-4-8-15/h1-13,20,23-24H,14H2,(H2,22,25)/t20-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide?
(2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide has a molecular weight of 332.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide is sourced from PubChem (CID 95567469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).