3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide

C30H42N2O8 — CID 4050363

IUPAC3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(C)CC(NC(=O)c3cc(OC)c(OC)c(OC)c3)CC(C)(C)C2)cc(OC)c1OC
InChIInChI=1S/C30H42N2O8/c1-29(2)14-20(32-28(34)19-12-23(37-6)26(40-9)24(13-19)38-7)15-30(3,16-29)17-31-27(33)18-10-21(35-4)25(39-8)22(11-18)36-5/h10-13,20H,14-17H2,1-9H3,(H,31,33)(H,32,34)
InChIKeyAECNBOPNJKSVHW-UHFFFAOYSA-N
MW558.67 g/mol
LogP4.48
Rot. Bonds11

About 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide

3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide (PubChem CID 4050363) has the molecular formula C30H42N2O8 and a molecular weight of 558.67 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide
PubChem CID4050363
Molecular FormulaC30H42N2O8
Molecular Weight558.67 g/mol
Exact Mass558.29
IUPAC Name3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(C)CC(NC(=O)c3cc(OC)c(OC)c(OC)c3)CC(C)(C)C2)cc(OC)c1OC
InChIInChI=1S/C30H42N2O8/c1-29(2)14-20(32-28(34)19-12-23(37-6)26(40-9)24(13-19)38-7)15-30(3,16-29)17-31-27(33)18-10-21(35-4)25(39-8)22(11-18)36-5/h10-13,20H,14-17H2,1-9H3,(H,31,33)(H,32,34)
InChIKeyAECNBOPNJKSVHW-UHFFFAOYSA-N
XLogP4.48
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.67
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide 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-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 3996775
3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
CID 673811
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
CID 4142011
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate
CID 67179801
N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
CID 1009025
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
methyl N-[[5-[2-(methoxycarbonylamino)ethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 118911971
N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 21409874
3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782557

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide (CID 4050363) is 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide is COc1cc(C(=O)NCC2(C)CC(NC(=O)c3cc(OC)c(OC)c(OC)c3)CC(C)(C)C2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide?
The InChIKey is AECNBOPNJKSVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O8/c1-29(2)14-20(32-28(34)19-12-23(37-6)26(40-9)24(13-19)38-7)15-30(3,16-29)17-31-27(33)18-10-21(35-4)25(39-8)22(11-18)36-5/h10-13,20H,14-17H2,1-9H3,(H,31,33)(H,32,34).
What are the key properties of 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide?
3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide has a molecular weight of 558.67 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 4050363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).