N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide

C14H18N2O3 — CID 110865984

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)NC(=O)c1ccco1
InChIInChI=1S/C14H18N2O3/c17-13(12-7-4-10-19-12)16-14(18)15-9-8-11-5-2-1-3-6-11/h4-5,7,10H,1-3,6,8-9H2,(H2,15,16,17,18)
InChIKeyWTGVQICBWLMSJY-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide (PubChem CID 110865984) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide
PubChem CID110865984
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)NC(=O)c1ccco1
InChIInChI=1S/C14H18N2O3/c17-13(12-7-4-10-19-12)16-14(18)15-9-8-11-5-2-1-3-6-11/h4-5,7,10H,1-3,6,8-9H2,(H2,15,16,17,18)
InChIKeyWTGVQICBWLMSJY-UHFFFAOYSA-N
XLogP2.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.61
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

N-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-carboxamide
CID 110866126
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
CID 109014635
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852080
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
2-(cyclohexen-1-yl)-1-(furan-2-yl)ethanone
CID 116659668
1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2210389
3-chloro-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]propanamide
CID 103603928
N-[3-[[[[2-(cyclohexen-1-yl)ethylamino]-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111208590
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605218
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide (CID 110865984) is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide is O=C(NCCC1=CCCCC1)NC(=O)c1ccco1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide?
The InChIKey is WTGVQICBWLMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(12-7-4-10-19-12)16-14(18)15-9-8-11-5-2-1-3-6-11/h4-5,7,10H,1-3,6,8-9H2,(H2,15,16,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide is sourced from PubChem (CID 110865984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).