N-(2-acetylphenyl)-3,4,4-trimethylpentanamide

C16H23NO2 — CID 63823020

IUPACN-(2-acetylphenyl)-3,4,4-trimethylpentanamide
SMILESCC(=O)c1ccccc1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-11(16(3,4)5)10-15(19)17-14-9-7-6-8-13(14)12(2)18/h6-9,11H,10H2,1-5H3,(H,17,19)
InChIKeyRBCJKMUULXGKLQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.90
Rot. Bonds4

About N-(2-acetylphenyl)-3,4,4-trimethylpentanamide

N-(2-acetylphenyl)-3,4,4-trimethylpentanamide (PubChem CID 63823020) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3,4,4-trimethylpentanamide
PubChem CID63823020
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(2-acetylphenyl)-3,4,4-trimethylpentanamide
SMILESCC(=O)c1ccccc1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-11(16(3,4)5)10-15(19)17-14-9-7-6-8-13(14)12(2)18/h6-9,11H,10H2,1-5H3,(H,17,19)
InChIKeyRBCJKMUULXGKLQ-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834812
N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide
CID 95776980
N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide
CID 63832381
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide
CID 86901395
[2-(2-acetylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132063
1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone
CID 164668619
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
CID 111109805
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide
CID 24702530
N-(2-carbamothioyl-3-methylphenyl)-3,4,4-trimethylpentanamide
CID 107805667
N-(2-acetylphenyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287860
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3,4,4-trimethylpentanamide
CID 86901306

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(2-acetylphenyl)-3,4,4-trimethylpentanamide (CID 63823020) is N-(2-acetylphenyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(2-acetylphenyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(2-acetylphenyl)-3,4,4-trimethylpentanamide is CC(=O)c1ccccc1NC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-(2-acetylphenyl)-3,4,4-trimethylpentanamide?
The InChIKey is RBCJKMUULXGKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(16(3,4)5)10-15(19)17-14-9-7-6-8-13(14)12(2)18/h6-9,11H,10H2,1-5H3,(H,17,19).
What are the key properties of N-(2-acetylphenyl)-3,4,4-trimethylpentanamide?
N-(2-acetylphenyl)-3,4,4-trimethylpentanamide has a molecular weight of 261.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63823020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).