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

C20H29N3O2 — CID 109052412

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-23(2)14-13-22-20(25)18-10-6-9-17(15-18)19(24)21-12-11-16-7-4-3-5-8-16/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySQJCSYIBLNRARB-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.60
Rot. Bonds8

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

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109052412) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
PubChem CID109052412
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-23(2)14-13-22-20(25)18-10-6-9-17(15-18)19(24)21-12-11-16-7-4-3-5-8-16/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySQJCSYIBLNRARB-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 109063514
3-[[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;hydroiodide
CID 111209113
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109052475
N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001011
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[3-(dimethylamino)propyl]pyridine-2,4-dicarboxamide
CID 109081949
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109052413
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052430
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
CID 113053040

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide (CID 109052412) is 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is CN(C)CCNC(=O)c1cccc(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is SQJCSYIBLNRARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-23(2)14-13-22-20(25)18-10-6-9-17(15-18)19(24)21-12-11-16-7-4-3-5-8-16/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.60, 8 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-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).