3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide

C17H19NO2 — CID 110486139

IUPAC3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(C(C)(C)O)c1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(2,20)14-9-7-8-13(12-14)16(19)18(3)15-10-5-4-6-11-15/h4-12,20H,1-3H3
InChIKeyJWKZQTGWQPDBJB-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.19
Rot. Bonds3

About 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide

3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide (PubChem CID 110486139) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide
PubChem CID110486139
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(C(C)(C)O)c1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(2,20)14-9-7-8-13(12-14)16(19)18(3)15-10-5-4-6-11-15/h4-12,20H,1-3H3
InChIKeyJWKZQTGWQPDBJB-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
ethane;N-methyl-N-[3-(N-methylanilino)phenyl]benzamide;N-methyl-3-(N-methylanilino)-N-phenylbenzamide
CID 161374433
1-N-(3-amino-2,2-dimethylpropyl)-1-N,3-N-dimethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 119654649
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
(2S)-2-methyl-2-[[3-[methyl(phenyl)carbamoyl]benzoyl]amino]butanoic acid
CID 129467287
tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
CID 46612138
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
N-methyl-N-[3-(N-methylanilino)phenyl]benzamide
CID 129066255
3-[3-[methyl(phenyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907328
1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057070
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone
CID 141287480

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide (CID 110486139) is 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(C(C)(C)O)c1)c1ccccc1.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide?
The InChIKey is JWKZQTGWQPDBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,20)14-9-7-8-13(12-14)16(19)18(3)15-10-5-4-6-11-15/h4-12,20H,1-3H3.
What are the key properties of 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide?
3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 110486139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).