N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide

C20H25NO2 — CID 111480227

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-15(22)13-20(2,3)14-21-19(23)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,22H,13-14H2,1-3H3,(H,21,23)
InChIKeyNBPOKBGCCNWZLY-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.88
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide

N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide (PubChem CID 111480227) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
PubChem CID111480227
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-15(22)13-20(2,3)14-21-19(23)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,22H,13-14H2,1-3H3,(H,21,23)
InChIKeyNBPOKBGCCNWZLY-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-hydroxy-2,2-dimethylpentyl)-4-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

4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
CID 111480141
N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
CID 111480028
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111480307
N-(4-hydroxy-2,2-dimethylpentyl)-4-prop-2-ynoxybenzamide
CID 111479961
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
CID 111520105
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
N-(4-hydroxy-2,2-dimethylpentyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111480504
1-benzhydryl-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111503860
N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111831347

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide (CID 111480227) is N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide is CC(O)CC(C)(C)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide?
The InChIKey is NBPOKBGCCNWZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(22)13-20(2,3)14-21-19(23)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15,22H,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide?
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide is sourced from PubChem (CID 111480227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).