N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide

C26H34N2O6 — CID 1104771

IUPACN-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H]2CCC[C@@H](CNC(=O)c3ccc(OC)c(OC)c3)C2)cc1OC
InChIInChI=1S/C26H34N2O6/c1-31-21-10-8-19(13-23(21)33-3)25(29)27-15-17-6-5-7-18(12-17)16-28-26(30)20-9-11-22(32-2)24(14-20)34-4/h8-11,13-14,17-18H,5-7,12,15-16H2,1-4H3,(H,27,29)(H,28,30)/t17-,18+
InChIKeyRDNKTJYUZFJSCL-HDICACEKSA-N
MW470.57 g/mol
LogP3.69
Rot. Bonds10

About N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide

N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide (PubChem CID 1104771) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
PubChem CID1104771
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC NameN-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H]2CCC[C@@H](CNC(=O)c3ccc(OC)c(OC)c3)C2)cc1OC
InChIInChI=1S/C26H34N2O6/c1-31-21-10-8-19(13-23(21)33-3)25(29)27-15-17-6-5-7-18(12-17)16-28-26(30)20-9-11-22(32-2)24(14-20)34-4/h8-11,13-14,17-18H,5-7,12,15-16H2,1-4H3,(H,27,29)(H,28,30)/t17-,18+
InChIKeyRDNKTJYUZFJSCL-HDICACEKSA-N
XLogP3.69
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide with MolForge

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 61034091
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide (CID 1104771) is N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC[C@H]2CCC[C@@H](CNC(=O)c3ccc(OC)c(OC)c3)C2)cc1OC.
What is the InChIKey of N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is RDNKTJYUZFJSCL-HDICACEKSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-31-21-10-8-19(13-23(21)33-3)25(29)27-15-17-6-5-7-18(12-17)16-28-26(30)20-9-11-22(32-2)24(14-20)34-4/h8-11,13-14,17-18H,5-7,12,15-16H2,1-4H3,(H,27,29)(H,28,30)/t17-,18+.
What are the key properties of N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide?
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 470.57 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 1104771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).