3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide

C22H26N2O4 — CID 109052232

IUPAC3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-27-18-11-12-19(20(14-18)28-2)24-22(26)16-8-6-7-15(13-16)21(25)23-17-9-4-3-5-10-17/h6-8,11-14,17H,3-5,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRVXSSKNKSLTFAC-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.02
Rot. Bonds6

About 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide

3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109052232) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109052232
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-27-18-11-12-19(20(14-18)28-2)24-22(26)16-8-6-7-15(13-16)21(25)23-17-9-4-3-5-10-17/h6-8,11-14,17H,3-5,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRVXSSKNKSLTFAC-UHFFFAOYSA-N
XLogP4.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056122
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
5-N-cyclopropyl-3-N-(2,4-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109101658
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052609
3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056037
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108959041
(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
CID 92717913

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide (CID 109052232) is 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)c2)c(OC)c1.
What is the InChIKey of 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is RVXSSKNKSLTFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-18-11-12-19(20(14-18)28-2)24-22(26)16-8-6-7-15(13-16)21(25)23-17-9-4-3-5-10-17/h6-8,11-14,17H,3-5,9-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide?
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).