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

C16H23NO2 — CID 55260812

IUPACN-(3-acetylphenyl)-3,4,4-trimethylpentanamide
SMILESCC(=O)c1cccc(NC(=O)CC(C)C(C)(C)C)c1
InChIInChI=1S/C16H23NO2/c1-11(16(3,4)5)9-15(19)17-14-8-6-7-13(10-14)12(2)18/h6-8,10-11H,9H2,1-5H3,(H,17,19)
InChIKeyVBAUDRBVLLLIJX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.90
Rot. Bonds4

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

N-(3-acetylphenyl)-3,4,4-trimethylpentanamide (PubChem CID 55260812) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3,4,4-trimethylpentanamide
PubChem CID55260812
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(3-acetylphenyl)-3,4,4-trimethylpentanamide
SMILESCC(=O)c1cccc(NC(=O)CC(C)C(C)(C)C)c1
InChIInChI=1S/C16H23NO2/c1-11(16(3,4)5)9-15(19)17-14-8-6-7-13(10-14)12(2)18/h6-8,10-11H,9H2,1-5H3,(H,17,19)
InChIKeyVBAUDRBVLLLIJX-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

3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119440969
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999507
4-(3-acetylanilino)-2-ethyl-4-oxobutanoic acid
CID 112517077
(2R)-4-(3-acetylanilino)-2-(dimethylamino)-4-oxobutanoic acid
CID 2140649
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394
1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 84682465
N-(2-acetylphenyl)-3,4,4-trimethylpentanamide
CID 63823020
N-(3-amino-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63834446
3-(2,3,3-trimethylbutylcarbamoylamino)benzoic acid
CID 83144469

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(3-acetylphenyl)-3,4,4-trimethylpentanamide (CID 55260812) is N-(3-acetylphenyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(3-acetylphenyl)-3,4,4-trimethylpentanamide is CC(=O)c1cccc(NC(=O)CC(C)C(C)(C)C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3,4,4-trimethylpentanamide?
The InChIKey is VBAUDRBVLLLIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(16(3,4)5)9-15(19)17-14-8-6-7-13(10-14)12(2)18/h6-8,10-11H,9H2,1-5H3,(H,17,19).
What are the key properties of N-(3-acetylphenyl)-3,4,4-trimethylpentanamide?
N-(3-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-(3-acetylphenyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 55260812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).