N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide

C16H27NO3 — CID 154687930

IUPACN-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide
SMILESCCC(CC=O)C(=O)N(C)CC1CCC(C(C)=O)CC1
InChIInChI=1S/C16H27NO3/c1-4-14(9-10-18)16(20)17(3)11-13-5-7-15(8-6-13)12(2)19/h10,13-15H,4-9,11H2,1-3H3
InChIKeyYURKIKHDINPQME-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.46
Rot. Bonds7

About N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide

N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide (PubChem CID 154687930) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide
PubChem CID154687930
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide
SMILESCCC(CC=O)C(=O)N(C)CC1CCC(C(C)=O)CC1
InChIInChI=1S/C16H27NO3/c1-4-14(9-10-18)16(20)17(3)11-13-5-7-15(8-6-13)12(2)19/h10,13-15H,4-9,11H2,1-3H3
InChIKeyYURKIKHDINPQME-UHFFFAOYSA-N
XLogP2.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide 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

N-[(4-acetylcyclohexyl)methyl]-N-methyl-2-(4-methyl-3-oxopentyl)sulfanyl-4-oxobutanamide
CID 171546120
N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
CID 143959726
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylbutanamide
CID 62860792
N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane
CID 176553120
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
CID 107904481
2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
CID 107471602
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
1-(4-pentylcyclohexyl)ethanone
CID 13278013
2-amino-N-(cyclobutylmethyl)-N,3-dimethylpentanamide
CID 62862218
N-(cyclobutylmethyl)-N-methyl-2-(methylamino)propanamide
CID 62861176
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
CID 107472079

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide?
The IUPAC name of N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide (CID 154687930) is N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide?
The canonical SMILES for N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide is CCC(CC=O)C(=O)N(C)CC1CCC(C(C)=O)CC1.
What is the InChIKey of N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide?
The InChIKey is YURKIKHDINPQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-14(9-10-18)16(20)17(3)11-13-5-7-15(8-6-13)12(2)19/h10,13-15H,4-9,11H2,1-3H3.
What are the key properties of N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide?
N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide has a molecular weight of 281.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide is sourced from PubChem (CID 154687930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).