N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide

C23H23NO2 — CID 166198785

IUPACN-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)CC(O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-18-12-14-21(15-13-18)23(26)24(16-19-8-4-2-5-9-19)17-22(25)20-10-6-3-7-11-20/h2-15,22,25H,16-17H2,1H3
InChIKeyGZADUUXQBQMXHR-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.37
Rot. Bonds6

About N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide

N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide (PubChem CID 166198785) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
PubChem CID166198785
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)CC(O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-18-12-14-21(15-13-18)23(26)24(16-19-8-4-2-5-9-19)17-22(25)20-10-6-3-7-11-20/h2-15,22,25H,16-17H2,1H3
InChIKeyGZADUUXQBQMXHR-UHFFFAOYSA-N
XLogP4.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 166230597
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-benzyl-6-(cyclopropylamino)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 97072122
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 46007541
N-(2-hydroxy-2-phenylethyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 102105772
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
CID 16686302
CID 16686302
N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120705127

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide?
The IUPAC name of N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide (CID 166198785) is N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide?
The canonical SMILES for N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide is Cc1ccc(C(=O)N(Cc2ccccc2)CC(O)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide?
The InChIKey is GZADUUXQBQMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-18-12-14-21(15-13-18)23(26)24(16-19-8-4-2-5-9-19)17-22(25)20-10-6-3-7-11-20/h2-15,22,25H,16-17H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide?
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide has a molecular weight of 345.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide is sourced from PubChem (CID 166198785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).