3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

C22H26N2O3 — CID 109052154

IUPAC3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H26N2O3/c1-27-20-13-6-5-8-18(20)15-23-21(25)16-9-7-10-17(14-16)22(26)24-19-11-3-2-4-12-19/h5-10,13-14,19H,2-4,11-12,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyQDGAQUWYVUULCW-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.69
Rot. Bonds6

About 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109052154) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109052154
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H26N2O3/c1-27-20-13-6-5-8-18(20)15-23-21(25)16-9-7-10-17(14-16)22(26)24-19-11-3-2-4-12-19/h5-10,13-14,19H,2-4,11-12,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyQDGAQUWYVUULCW-UHFFFAOYSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052430
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
N-[1-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 33108751

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (CID 109052154) is 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is COc1ccccc1CNC(=O)c1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is QDGAQUWYVUULCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-13-6-5-8-18(20)15-23-21(25)16-9-7-10-17(14-16)22(26)24-19-11-3-2-4-12-19/h5-10,13-14,19H,2-4,11-12,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).