2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide

C23H31NO2 — CID 11057332

IUPAC2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide
SMILESCc1cc(C)c(C(=O)N(C(C)C)C(C)C)c(CC(O)c2ccccc2)c1
InChIInChI=1S/C23H31NO2/c1-15(2)24(16(3)4)23(26)22-18(6)12-17(5)13-20(22)14-21(25)19-10-8-7-9-11-19/h7-13,15-16,21,25H,14H2,1-6H3
InChIKeyZYAGTDRJSLBMKS-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.84
Rot. Bonds6

About 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide

2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide (PubChem CID 11057332) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide
PubChem CID11057332
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide
SMILESCc1cc(C)c(C(=O)N(C(C)C)C(C)C)c(CC(O)c2ccccc2)c1
InChIInChI=1S/C23H31NO2/c1-15(2)24(16(3)4)23(26)22-18(6)12-17(5)13-20(22)14-21(25)19-10-8-7-9-11-19/h7-13,15-16,21,25H,14H2,1-6H3
InChIKeyZYAGTDRJSLBMKS-UHFFFAOYSA-N
XLogP4.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 102459740
1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 68515093
2-methyl-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 15828026
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
CID 175015018
[3-methyl-1-oxo-1-(2,4,6-trimethylphenyl)butan-2-yl] 2-methyl-3-phenylpropanoate
CID 174387260
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-(3-hydroxy-2-phenylpropanoyl)-3,5-dimethylbenzoic acid
CID 70040052

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide (CID 11057332) is 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide is Cc1cc(C)c(C(=O)N(C(C)C)C(C)C)c(CC(O)c2ccccc2)c1.
What is the InChIKey of 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide?
The InChIKey is ZYAGTDRJSLBMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-15(2)24(16(3)4)23(26)22-18(6)12-17(5)13-20(22)14-21(25)19-10-8-7-9-11-19/h7-13,15-16,21,25H,14H2,1-6H3.
What are the key properties of 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide?
2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide has a molecular weight of 353.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 11057332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).