2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide

C29H38N2O4 — CID 5173361

IUPAC2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCC(CC2CCC(NC(=O)c3ccccc3OC)CC2)CC1
InChIInChI=1S/C29H38N2O4/c1-34-26-9-5-3-7-24(26)28(32)30-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)31-29(33)25-8-4-6-10-27(25)35-2/h3-10,20-23H,11-19H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyZEMFWXBMYXMTFO-UHFFFAOYSA-N
MW478.63 g/mol
LogP5.37
Rot. Bonds8

About 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide

2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide (PubChem CID 5173361) has the molecular formula C29H38N2O4 and a molecular weight of 478.63 g/mol. Its IUPAC name is 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
PubChem CID5173361
Molecular FormulaC29H38N2O4
Molecular Weight478.63 g/mol
Exact Mass478.28
IUPAC Name2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCC(CC2CCC(NC(=O)c3ccccc3OC)CC2)CC1
InChIInChI=1S/C29H38N2O4/c1-34-26-9-5-3-7-24(26)28(32)30-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)31-29(33)25-8-4-6-10-27(25)35-2/h3-10,20-23H,11-19H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyZEMFWXBMYXMTFO-UHFFFAOYSA-N
XLogP5.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide with MolForge

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Related Compounds

2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 3410866
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126855667
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-2-methoxybenzamide
CID 124892081
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide
CID 98783443
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide (CID 5173361) is 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide is COc1ccccc1C(=O)NC1CCC(CC2CCC(NC(=O)c3ccccc3OC)CC2)CC1.
What is the InChIKey of 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide?
The InChIKey is ZEMFWXBMYXMTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O4/c1-34-26-9-5-3-7-24(26)28(32)30-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)31-29(33)25-8-4-6-10-27(25)35-2/h3-10,20-23H,11-19H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide?
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide has a molecular weight of 478.63 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide is sourced from PubChem (CID 5173361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).