4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide

C18H24N2O2 — CID 109043526

IUPAC4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-2-13-19-17(21)14-9-11-15(12-10-14)18(22)20-16-7-5-3-4-6-8-16/h2,9-12,16H,1,3-8,13H2,(H,19,21)(H,20,22)
InChIKeyHPXBCPCJSACTMI-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.06
Rot. Bonds5

About 4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide

4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide (PubChem CID 109043526) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
PubChem CID109043526
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-2-13-19-17(21)14-9-11-15(12-10-14)18(22)20-16-7-5-3-4-6-8-16/h2,9-12,16H,1,3-8,13H2,(H,19,21)(H,20,22)
InChIKeyHPXBCPCJSACTMI-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide
CID 155945860
4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079061
6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094007
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide (CID 109043526) is 4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide is C=CCNC(=O)c1ccc(C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The InChIKey is HPXBCPCJSACTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-13-19-17(21)14-9-11-15(12-10-14)18(22)20-16-7-5-3-4-6-8-16/h2,9-12,16H,1,3-8,13H2,(H,19,21)(H,20,22).
What are the key properties of 4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.06, 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-prop-2-enylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).