N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide

C19H28N2O4 — CID 108959041

IUPACN-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-19(2,17(22)20-13-8-6-5-7-9-13)18(23)21-15-11-10-14(24-3)12-16(15)25-4/h10-13H,5-9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyAAYIHZVXCZYVCL-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.12
Rot. Bonds6

About N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide

N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108959041) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108959041
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-19(2,17(22)20-13-8-6-5-7-9-13)18(23)21-15-11-10-14(24-3)12-16(15)25-4/h10-13H,5-9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyAAYIHZVXCZYVCL-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide 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-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108958662
1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967272
N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108957499
(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
CID 92717913
N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967959
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959069
1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
CID 23627147
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967373

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide (CID 108959041) is N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCCC2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is AAYIHZVXCZYVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,17(22)20-13-8-6-5-7-9-13)18(23)21-15-11-10-14(24-3)12-16(15)25-4/h10-13H,5-9H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide?
N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 348.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).