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

C21H30N2O3 — CID 109146360

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H30N2O3/c24-20(22-13-12-16-5-2-1-3-6-16)17-8-10-18(11-9-17)21(25)23-15-19-7-4-14-26-19/h4-5,7,14,17-18H,1-3,6,8-13,15H2,(H,22,24)(H,23,25)
InChIKeyZQOJTFJQJANKTO-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.71
Rot. Bonds7

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

1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146360) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146360
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H30N2O3/c24-20(22-13-12-16-5-2-1-3-6-16)17-8-10-18(11-9-17)21(25)23-15-19-7-4-14-26-19/h4-5,7,14,17-18H,1-3,6,8-13,15H2,(H,22,24)(H,23,25)
InChIKeyZQOJTFJQJANKTO-UHFFFAOYSA-N
XLogP3.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide with MolForge

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 119073948
1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2210389
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
CID 109014635
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146362
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146370
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
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
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109146360) is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is O=C(NCCC1=CCCCC1)C1CCC(C(=O)NCc2ccco2)CC1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is ZQOJTFJQJANKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-20(22-13-12-16-5-2-1-3-6-16)17-8-10-18(11-9-17)21(25)23-15-19-7-4-14-26-19/h4-5,7,14,17-18H,1-3,6,8-13,15H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.71, 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]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).