3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide

C22H34N2O4 — CID 25163659

IUPAC3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)CCC2CCCCC2)cc1OCC
InChIInChI=1S/C22H34N2O4/c1-4-27-19-13-12-18(15-20(19)28-5-2)23-21(25)16-24(3)22(26)14-11-17-9-7-6-8-10-17/h12-13,15,17H,4-11,14,16H2,1-3H3,(H,23,25)
InChIKeyXECCNSFTAIVYKZ-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.24
Rot. Bonds10

About 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide

3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 25163659) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID25163659
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)CCC2CCCCC2)cc1OCC
InChIInChI=1S/C22H34N2O4/c1-4-27-19-13-12-18(15-20(19)28-5-2)23-21(25)16-24(3)22(26)14-11-17-9-7-6-8-10-17/h12-13,15,17H,4-11,14,16H2,1-3H3,(H,23,25)
InChIKeyXECCNSFTAIVYKZ-UHFFFAOYSA-N
XLogP4.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide 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-(5-butoxy-1-oxo-2-isoquinolinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 23640021
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
Arylaminoethyl amide deriv. 26
CID 23648399
Cyclohexanecarboxylic acid {2-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-]ethyl}-amide
CID 9799670
N-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-2-(1-adamantyl)acetamide
CID 90668283
Tert-butyl 4-[4-[3-[[2-(1-adamantyl)acetyl]amino]phenoxy]butyl]piperazine-1-carboxylate
CID 90668284
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3,4-dimethoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70276605
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[(2R)-4-(3,4-dimethoxyphenyl)-2-methylpiperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 71458923
CeMMEC13
CID 110694558
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 11948728
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide (CID 25163659) is 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide is CCOc1ccc(NC(=O)CN(C)C(=O)CCC2CCCCC2)cc1OCC.
What is the InChIKey of 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is XECCNSFTAIVYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-4-27-19-13-12-18(15-20(19)28-5-2)23-21(25)16-24(3)22(26)14-11-17-9-7-6-8-10-17/h12-13,15,17H,4-11,14,16H2,1-3H3,(H,23,25).
What are the key properties of 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide?
3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 390.52 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 25163659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).