4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide

C23H28N2O2 — CID 109046875

IUPAC4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C(=O)NC3CCCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O2/c1-17-7-6-8-18(15-17)16-24-22(26)19-11-13-20(14-12-19)23(27)25-21-9-4-2-3-5-10-21/h6-8,11-15,21H,2-5,9-10,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyCSSXVLZIAQZHFS-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.38
Rot. Bonds5

About 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide

4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109046875) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109046875
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C(=O)NC3CCCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O2/c1-17-7-6-8-18(15-17)16-24-22(26)19-11-13-20(14-12-19)23(27)25-21-9-4-2-3-5-10-21/h6-8,11-15,21H,2-5,9-10,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyCSSXVLZIAQZHFS-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013960
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
N-cyclooctyl-4-methylbenzamide
CID 3995245

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide (CID 109046875) is 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide is Cc1cccc(CNC(=O)c2ccc(C(=O)NC3CCCCCC3)cc2)c1.
What is the InChIKey of 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is CSSXVLZIAQZHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-7-6-8-18(15-17)16-24-22(26)19-11-13-20(14-12-19)23(27)25-21-9-4-2-3-5-10-21/h6-8,11-15,21H,2-5,9-10,16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide?
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).