2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C16H20N2O2 — CID 3844717

IUPAC2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)NC2CCCCC2C)o1
InChIInChI=1S/C16H20N2O2/c1-11-5-3-4-6-15(11)18-16(19)13(10-17)9-14-8-7-12(2)20-14/h7-9,11,15H,3-6H2,1-2H3,(H,18,19)
InChIKeyWXSNIXZSJPSWLS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.19
Rot. Bonds3

About 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide

2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 3844717) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID3844717
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)NC2CCCCC2C)o1
InChIInChI=1S/C16H20N2O2/c1-11-5-3-4-6-15(11)18-16(19)13(10-17)9-14-8-7-12(2)20-14/h7-9,11,15H,3-6H2,1-2H3,(H,18,19)
InChIKeyWXSNIXZSJPSWLS-UHFFFAOYSA-N
XLogP3.19
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-phenylprop-2-enamide
CID 7515644
2-cyano-3-[3-[2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 4617152
(E)-2-cyano-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7515651
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7481078
(E)-3-(4-chlorophenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7275640
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-pyridin-4-ylprop-2-enamide
CID 7040869
(E)-3-(4-chlorophenyl)-2-cyano-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7275638
(E)-2-cyano-N-[(1R,2R)-2-methylcyclohexyl]-3-pyridin-4-ylprop-2-enamide
CID 7481059
(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7494065
2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 3770404
2-cyano-N-(2-methylcyclohexyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 5155500
(E)-2-cyano-N-cyclohexyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247292

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 3844717) is 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=C(C#N)C(=O)NC2CCCCC2C)o1.
What is the InChIKey of 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is WXSNIXZSJPSWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-3-4-6-15(11)18-16(19)13(10-17)9-14-8-7-12(2)20-14/h7-9,11,15H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 272.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 3844717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).