N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide

C15H23NO2 — CID 103772365

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)(C)CCO)c1
InChIInChI=1S/C15H23NO2/c1-12-5-4-6-13(9-12)10-14(18)16-11-15(2,3)7-8-17/h4-6,9,17H,7-8,10-11H2,1-3H3,(H,16,18)
InChIKeyFNIVNAKMNWTHEU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.06
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide (PubChem CID 103772365) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
PubChem CID103772365
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(C)(C)CCO)c1
InChIInChI=1S/C15H23NO2/c1-12-5-4-6-13(9-12)10-14(18)16-11-15(2,3)7-8-17/h4-6,9,17H,7-8,10-11H2,1-3H3,(H,16,18)
InChIKeyFNIVNAKMNWTHEU-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 114149387
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
CID 90498459
N-(4-bromo-2,2-dimethylbutyl)-3-(3-methylphenyl)propanamide
CID 114149455
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(3-methylphenyl)acetamide
CID 95368841
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide
CID 103772553
N-(4-bromo-2,2-dimethylbutyl)-2-(3-chlorophenyl)acetamide
CID 106143575
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
N-(4-amino-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 106140187

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide (CID 103772365) is N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(C)(C)CCO)c1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide?
The InChIKey is FNIVNAKMNWTHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-5-4-6-13(9-12)10-14(18)16-11-15(2,3)7-8-17/h4-6,9,17H,7-8,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide has a molecular weight of 249.35 g/mol, XLogP of 2.06, 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-dimethylbutyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 103772365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).