N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide

C28H38N2O6 — CID 3996775

IUPACN-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)c(OC)c3)CC(C)(C)C2)cc1OC
InChIInChI=1S/C28H38N2O6/c1-27(2)14-20(30-26(32)19-9-11-22(34-5)24(13-19)36-7)15-28(3,16-27)17-29-25(31)18-8-10-21(33-4)23(12-18)35-6/h8-13,20H,14-17H2,1-7H3,(H,29,31)(H,30,32)
InChIKeyOAOTXEIIIYQSJM-UHFFFAOYSA-N
MW498.62 g/mol
LogP4.47
Rot. Bonds9

About N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide

N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide (PubChem CID 3996775) has the molecular formula C28H38N2O6 and a molecular weight of 498.62 g/mol. Its IUPAC name is N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
PubChem CID3996775
Molecular FormulaC28H38N2O6
Molecular Weight498.62 g/mol
Exact Mass498.27
IUPAC NameN-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)c(OC)c3)CC(C)(C)C2)cc1OC
InChIInChI=1S/C28H38N2O6/c1-27(2)14-20(30-26(32)19-9-11-22(34-5)24(13-19)36-7)15-28(3,16-27)17-29-25(31)18-8-10-21(33-4)23(12-18)35-6/h8-13,20H,14-17H2,1-7H3,(H,29,31)(H,30,32)
InChIKeyOAOTXEIIIYQSJM-UHFFFAOYSA-N
XLogP4.47
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide 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

3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide
CID 4050363
N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
CID 4142011
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
CID 1009025
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide (CID 3996775) is N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2(C)CC(NC(=O)c3ccc(OC)c(OC)c3)CC(C)(C)C2)cc1OC.
What is the InChIKey of N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is OAOTXEIIIYQSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O6/c1-27(2)14-20(30-26(32)19-9-11-22(34-5)24(13-19)36-7)15-28(3,16-27)17-29-25(31)18-8-10-21(33-4)23(12-18)35-6/h8-13,20H,14-17H2,1-7H3,(H,29,31)(H,30,32).
What are the key properties of N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide?
N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 498.62 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 3996775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).