N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide

C20H25NO2 — CID 52992678

IUPACN-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(C)(O)CCc2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-15-9-10-16(2)18(13-15)19(22)21-14-20(3,23)12-11-17-7-5-4-6-8-17/h4-10,13,23H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyQKXDNRQIKFYRQL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.42
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide

N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide (PubChem CID 52992678) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide
PubChem CID52992678
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(C)(O)CCc2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-15-9-10-16(2)18(13-15)19(22)21-14-20(3,23)12-11-17-7-5-4-6-8-17/h4-10,13,23H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyQKXDNRQIKFYRQL-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide 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

4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
3-methyl-N-(2-phenylethyl)benzamide
CID 723531
N-Benzoyl-L-phenylalaninol
CID 852848
H-Cdp-Gly-Gly-Phe-Leu-OH
CID 44439880
2-methyl-N-(2-methylbenzyl)benzamide
CID 881366
N-(3-phenylpropyl)-4-(propan-2-yl)benzamide
CID 2169905
2-methyl-N-(3-phenylpropyl)benzamide
CID 2186870
2-methyl-N-(2-phenylethyl)benzamide
CID 668773
N-(4-Propylaminobutyl)-4-biphenylcarboxamide
CID 25139331
(2,5-Dihydro-1h-Pyrrol-1-Yl)(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)methanone
CID 119057480
(9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
CID 68538837
N-allyl-2-(2-phenylethyl)benzamide
CID 2228922

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide (CID 52992678) is N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC(C)(O)CCc2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide?
The InChIKey is QKXDNRQIKFYRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-9-10-16(2)18(13-15)19(22)21-14-20(3,23)12-11-17-7-5-4-6-8-17/h4-10,13,23H,11-12,14H2,1-3H3,(H,21,22).
What are the key properties of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide?
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 52992678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).