1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C21H32N2O2 — CID 109056099

IUPAC1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H32N2O2/c1-3-14-23(15-4-2)21(25)18-11-9-10-17(16-18)20(24)22-19-12-7-5-6-8-13-19/h9-11,16,19H,3-8,12-15H2,1-2H3,(H,22,24)
InChIKeyCKNIFZJFJZHDQD-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.40
Rot. Bonds7

About 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 109056099) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID109056099
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H32N2O2/c1-3-14-23(15-4-2)21(25)18-11-9-10-17(16-18)20(24)22-19-12-7-5-6-8-13-19/h9-11,16,19H,3-8,12-15H2,1-2H3,(H,22,24)
InChIKeyCKNIFZJFJZHDQD-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-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

2-N-cycloheptyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099249
1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109052208
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
N-cyclohexyl-3-propoxybenzamide
CID 4960053
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
N-cyclooctyl-3-methylbenzamide
CID 966011
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
1-N-(2-amino-1-cyclopropylethyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119614508
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119522644

Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 109056099) is 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is CKNIFZJFJZHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-14-23(15-4-2)21(25)18-11-9-10-17(16-18)20(24)22-19-12-7-5-6-8-13-19/h9-11,16,19H,3-8,12-15H2,1-2H3,(H,22,24).
What are the key properties of 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).