(2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide

C23H24N2O2 — CID 101416867

IUPAC(2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide
SMILESCc1ccc([C@@H](Nc2ccccc2O)C(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C23H24N2O2/c1-16-12-13-19(14-17(16)2)22(25-20-10-6-7-11-21(20)26)23(27)24-15-18-8-4-3-5-9-18/h3-14,22,25-26H,15H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyWJQUUQNBJORBAA-JOCHJYFZSA-N
MW360.46 g/mol
LogP4.48
Rot. Bonds6

About (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide

(2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide (PubChem CID 101416867) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide
PubChem CID101416867
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide
SMILESCc1ccc([C@@H](Nc2ccccc2O)C(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C23H24N2O2/c1-16-12-13-19(14-17(16)2)22(25-20-10-6-7-11-21(20)26)23(27)24-15-18-8-4-3-5-9-18/h3-14,22,25-26H,15H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyWJQUUQNBJORBAA-JOCHJYFZSA-N
XLogP4.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.48
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

1-benzyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675014
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide
CID 14212844
N-benzyl-2-methylpropanamide;methane
CID 160760567
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
2-(benzylamino)-2-(3-chloro-4-methylphenyl)acetic acid
CID 106817664
N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide
CID 102492656
N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
tert-butyl N-[1-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 18212706
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide?
The IUPAC name of (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide (CID 101416867) is (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide.
What is the SMILES notation for (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide?
The canonical SMILES for (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide is Cc1ccc([C@@H](Nc2ccccc2O)C(=O)NCc2ccccc2)cc1C.
What is the InChIKey of (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide?
The InChIKey is WJQUUQNBJORBAA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-12-13-19(14-17(16)2)22(25-20-10-6-7-11-21(20)26)23(27)24-15-18-8-4-3-5-9-18/h3-14,22,25-26H,15H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide?
(2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide has a molecular weight of 360.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(3,4-dimethylphenyl)-2-(2-hydroxyanilino)acetamide is sourced from PubChem (CID 101416867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).