4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

C16H22N2O3 — CID 109144668

IUPAC4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)C1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H22N2O3/c19-15(17-10-14-2-1-9-21-14)11-3-5-12(6-4-11)16(20)18-13-7-8-13/h1-2,9,11-13H,3-8,10H2,(H,17,19)(H,18,20)
InChIKeyGMMNUBRAANBCIL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds5

About 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109144668) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109144668
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)C1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H22N2O3/c19-15(17-10-14-2-1-9-21-14)11-3-5-12(6-4-11)16(20)18-13-7-8-13/h1-2,9,11-13H,3-8,10H2,(H,17,19)(H,18,20)
InChIKeyGMMNUBRAANBCIL-UHFFFAOYSA-N
XLogP1.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147874
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782
4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 6594091
N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide
CID 163345083
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 42847997

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109144668) is 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is O=C(NCc1ccco1)C1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is GMMNUBRAANBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(17-10-14-2-1-9-21-14)11-3-5-12(6-4-11)16(20)18-13-7-8-13/h1-2,9,11-13H,3-8,10H2,(H,17,19)(H,18,20).
What are the key properties of 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).