N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide

C20H23NO3 — CID 111697880

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C20H23NO3/c1-14-9-11-15(12-10-14)18(22)16-7-5-6-8-17(16)19(23)21(4)13-20(2,3)24/h5-12,24H,13H2,1-4H3
InChIKeyGQMRYVYQMCEUEG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.07
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide (PubChem CID 111697880) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide
PubChem CID111697880
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C20H23NO3/c1-14-9-11-15(12-10-14)18(22)16-7-5-6-8-17(16)19(23)21(4)13-20(2,3)24/h5-12,24H,13H2,1-4H3
InChIKeyGQMRYVYQMCEUEG-UHFFFAOYSA-N
XLogP3.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylbenzoyl)benzamide
CID 36816287
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N-(2-amino-2-methylpropyl)-2-(4-methylbenzoyl)benzamide
CID 119627671
2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 79385433
3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 113367038
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
CID 113258432
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide
CID 111831410
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751
2-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
CID 119945788
2-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429166

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide (CID 111697880) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC(C)(C)O)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide?
The InChIKey is GQMRYVYQMCEUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-9-11-15(12-10-14)18(22)16-7-5-6-8-17(16)19(23)21(4)13-20(2,3)24/h5-12,24H,13H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide is sourced from PubChem (CID 111697880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).