3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide

C23H28N2O4 — CID 109056122

IUPAC3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(C(=O)NC3CCCCCC3)c2)c1
InChIInChI=1S/C23H28N2O4/c1-28-19-12-13-21(29-2)20(15-19)25-23(27)17-9-7-8-16(14-17)22(26)24-18-10-5-3-4-6-11-18/h7-9,12-15,18H,3-6,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFCUZGTJUMWWYMX-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.41
Rot. Bonds6

About 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide

3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056122) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109056122
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(C(=O)NC3CCCCCC3)c2)c1
InChIInChI=1S/C23H28N2O4/c1-28-19-12-13-21(29-2)20(15-19)25-23(27)17-9-7-8-16(14-17)22(26)24-18-10-5-3-4-6-11-18/h7-9,12-15,18H,3-6,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFCUZGTJUMWWYMX-UHFFFAOYSA-N
XLogP4.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081455
N-cyclopropyl-3-methoxybenzamide
CID 900156

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide (CID 109056122) is 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide is COc1ccc(OC)c(NC(=O)c2cccc(C(=O)NC3CCCCCC3)c2)c1.
What is the InChIKey of 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is FCUZGTJUMWWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-19-12-13-21(29-2)20(15-19)25-23(27)17-9-7-8-16(14-17)22(26)24-18-10-5-3-4-6-11-18/h7-9,12-15,18H,3-6,10-11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide?
3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).