4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide

C23H38N2O2 — CID 109146382

IUPAC4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C23H38N2O2/c26-22(24-17-16-18-8-4-3-5-9-18)19-12-14-20(15-13-19)23(27)25-21-10-6-1-2-7-11-21/h8,19-21H,1-7,9-17H2,(H,24,26)(H,25,27)
InChIKeyJTUGIHHOYFTHGK-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.64
Rot. Bonds6

About 4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide

4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109146382) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109146382
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C23H38N2O2/c26-22(24-17-16-18-8-4-3-5-9-18)19-12-14-20(15-13-19)23(27)25-21-10-6-1-2-7-11-21/h8,19-21H,1-7,9-17H2,(H,24,26)(H,25,27)
InChIKeyJTUGIHHOYFTHGK-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.64
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

1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-cyclohexylacetamide;hydroiodide
CID 111209315
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
6-N-cycloheptyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095592
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146208
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
1-(2-amino-2-oxoethyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 16909150
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146362

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide (CID 109146382) is 4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide is O=C(NCCC1=CCCCC1)C1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is JTUGIHHOYFTHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c26-22(24-17-16-18-8-4-3-5-9-18)19-12-14-20(15-13-19)23(27)25-21-10-6-1-2-7-11-21/h8,19-21H,1-7,9-17H2,(H,24,26)(H,25,27).
What are the key properties of 4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide?
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 374.57 g/mol, XLogP of 4.64, 6 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-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).