1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide

C24H29N3O2 — CID 109052475

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)cc1
InChIInChI=1S/C24H29N3O2/c1-27(2)22-13-11-21(12-14-22)26-24(29)20-10-6-9-19(17-20)23(28)25-16-15-18-7-4-3-5-8-18/h6-7,9-14,17H,3-5,8,15-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyHNXNSEXFQMUJDU-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.63
Rot. Bonds7

About 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide (PubChem CID 109052475) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
PubChem CID109052475
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)cc1
InChIInChI=1S/C24H29N3O2/c1-27(2)22-13-11-21(12-14-22)26-24(29)20-10-6-9-19(17-20)23(28)25-16-15-18-7-4-3-5-8-18/h6-7,9-14,17H,3-5,8,15-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyHNXNSEXFQMUJDU-UHFFFAOYSA-N
XLogP4.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001011
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972632
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,4-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103349
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664163
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide (CID 109052475) is 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide is CN(C)c1ccc(NC(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)cc1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is HNXNSEXFQMUJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-27(2)22-13-11-21(12-14-22)26-24(29)20-10-6-9-19(17-20)23(28)25-16-15-18-7-4-3-5-8-18/h6-7,9-14,17H,3-5,8,15-16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).