2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide

C16H30N2O3 — CID 174329363

IUPAC2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1CCC(C)(C)CC1
InChIInChI=1S/C16H30N2O3/c1-11(14(15(20)17-5)18-12(2)19)21-10-13-6-8-16(3,4)9-7-13/h11,13-14H,6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyMPOCQLVZIZXMBJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.86
Rot. Bonds6

About 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide

2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide (PubChem CID 174329363) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
PubChem CID174329363
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1CCC(C)(C)CC1
InChIInChI=1S/C16H30N2O3/c1-11(14(15(20)17-5)18-12(2)19)21-10-13-6-8-16(3,4)9-7-13/h11,13-14H,6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyMPOCQLVZIZXMBJ-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide 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

2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
CID 164604737
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
2-acetamido-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164604698
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 164605028
(2S,3R)-2-amino-N-methyl-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
CID 171594019
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170758965
[(2R,3S)-3-acetamido-4-(methylamino)-4-oxobutan-2-yl] dihydrogen phosphate
CID 102038450
2-acetamido-2-[1-(cyclohexylmethoxy)cyclopropyl]-N-methylacetamide
CID 164604521
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide?
The IUPAC name of 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide (CID 174329363) is 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide.
What is the SMILES notation for 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide?
The canonical SMILES for 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide is CNC(=O)C(NC(C)=O)C(C)OCC1CCC(C)(C)CC1.
What is the InChIKey of 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide?
The InChIKey is MPOCQLVZIZXMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(14(15(20)17-5)18-12(2)19)21-10-13-6-8-16(3,4)9-7-13/h11,13-14H,6-10H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide?
2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide has a molecular weight of 298.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide is sourced from PubChem (CID 174329363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).