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

C15H28N2O4 — CID 164605024

IUPAC2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1CCC(OC)CC1
InChIInChI=1S/C15H28N2O4/c1-10(14(15(19)16-3)17-11(2)18)21-9-12-5-7-13(20-4)8-6-12/h10,12-14H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyDHUQDMHUNHMHMJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.85
Rot. Bonds7

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

2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide (PubChem CID 164605024) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
PubChem CID164605024
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1CCC(OC)CC1
InChIInChI=1S/C15H28N2O4/c1-10(14(15(19)16-3)17-11(2)18)21-9-12-5-7-13(20-4)8-6-12/h10,12-14H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyDHUQDMHUNHMHMJ-UHFFFAOYSA-N
XLogP0.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-[(4-methoxycyclohexyl)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

N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide
CID 170757775
(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 164603913
N-[1-[3-(aminomethyl)azetidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide
CID 164604051
(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604083
N-[1-(3-acetamidopiperidin-1-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide
CID 164604124
Ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate
CID 164604135
3-[[2-Acetamido-3-(cyclohexylmethoxy)butanoyl]amino]propanoic acid
CID 164604322
(2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604432
(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604443
N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide
CID 164604503
2-acetamido-2-[1-(cyclohexylmethoxy)cyclopropyl]-N-methylacetamide
CID 164604521
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604619

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide?
The IUPAC name of 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide (CID 164605024) is 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide.
What is the SMILES notation for 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide?
The canonical SMILES for 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide is CNC(=O)C(NC(C)=O)C(C)OCC1CCC(OC)CC1.
What is the InChIKey of 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide?
The InChIKey is DHUQDMHUNHMHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(14(15(19)16-3)17-11(2)18)21-9-12-5-7-13(20-4)8-6-12/h10,12-14H,5-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide?
2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide has a molecular weight of 300.40 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide is sourced from PubChem (CID 164605024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).