N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide

C20H25NO2 — CID 90498459

IUPACN-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)(O)CCc2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-16-7-6-10-18(13-16)14-19(22)21-15-20(2,23)12-11-17-8-4-3-5-9-17/h3-10,13,23H,11-12,14-15H2,1-2H3,(H,21,22)
InChIKeyACIQFRKPOXFJHV-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.04
Rot. Bonds7

About N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide

N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide (PubChem CID 90498459) 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-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
PubChem CID90498459
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)(O)CCc2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-16-7-6-10-18(13-16)14-19(22)21-15-20(2,23)12-11-17-8-4-3-5-9-17/h3-10,13,23H,11-12,14-15H2,1-2H3,(H,21,22)
InChIKeyACIQFRKPOXFJHV-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(3-methylphenyl)acetamide
CID 95368841
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 114149387
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
CID 90498651
2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498520
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide (CID 90498459) is N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(C)(O)CCc2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide?
The InChIKey is ACIQFRKPOXFJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16-7-6-10-18(13-16)14-19(22)21-15-20(2,23)12-11-17-8-4-3-5-9-17/h3-10,13,23H,11-12,14-15H2,1-2H3,(H,21,22).
What are the key properties of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide?
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.04, 7 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 90498459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).