2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide

C24H30N2O4 — CID 7649857

IUPAC2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NC[C@@H]1CCC[C@@H](CNC(=O)c2ccccc2OC)C1
InChIInChI=1S/C24H30N2O4/c1-29-21-12-5-3-10-19(21)23(27)25-15-17-8-7-9-18(14-17)16-26-24(28)20-11-4-6-13-22(20)30-2/h3-6,10-13,17-18H,7-9,14-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18-/m1/s1
InChIKeyZBDRLWMRIMVRGR-QZTJIDSGSA-N
MW410.51 g/mol
LogP3.67
Rot. Bonds8

About 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide

2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide (PubChem CID 7649857) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
PubChem CID7649857
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NC[C@@H]1CCC[C@@H](CNC(=O)c2ccccc2OC)C1
InChIInChI=1S/C24H30N2O4/c1-29-21-12-5-3-10-19(21)23(27)25-15-17-8-7-9-18(14-17)16-26-24(28)20-11-4-6-13-22(20)30-2/h3-6,10-13,17-18H,7-9,14-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18-/m1/s1
InChIKeyZBDRLWMRIMVRGR-QZTJIDSGSA-N
XLogP3.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 106132057
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide
CID 3134403
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106132134
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
CID 106131969
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
2-methoxy-N-[(3-methylpiperidin-2-yl)methyl]benzamide
CID 63304743
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide (CID 7649857) is 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide is COc1ccccc1C(=O)NC[C@@H]1CCC[C@@H](CNC(=O)c2ccccc2OC)C1.
What is the InChIKey of 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide?
The InChIKey is ZBDRLWMRIMVRGR-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-29-21-12-5-3-10-19(21)23(27)25-15-17-8-7-9-18(14-17)16-26-24(28)20-11-4-6-13-22(20)30-2/h3-6,10-13,17-18H,7-9,14-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18-/m1/s1.
What are the key properties of 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide?
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide has a molecular weight of 410.51 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 7649857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).