(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C15H21NO2 — CID 26877417

IUPAC(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCC(C)CC2)o1
InChIInChI=1S/C15H21NO2/c1-11-3-6-13(7-4-11)16-15(17)10-9-14-8-5-12(2)18-14/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,16,17)/b10-9+
InChIKeyKARBXZIUCTXZGI-MDZDMXLPSA-N
MW247.34 g/mol
LogP3.30
Rot. Bonds3

About (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 26877417) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID26877417
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCC(C)CC2)o1
InChIInChI=1S/C15H21NO2/c1-11-3-6-13(7-4-11)16-15(17)10-9-14-8-5-12(2)18-14/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,16,17)/b10-9+
InChIKeyKARBXZIUCTXZGI-MDZDMXLPSA-N
XLogP3.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115880719
ethyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542271
(E)-3-(5-methylfuran-2-yl)-N-(4-methylpiperidine-1-carbothioyl)prop-2-enamide
CID 922634
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 95284463
(E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide
CID 27528633
2-cyclohexyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetic acid
CID 61015151
(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923455
(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 55564815
3-[3-(5-bromofuran-2-yl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110036
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 26877417) is (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC2CCC(C)CC2)o1.
What is the InChIKey of (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is KARBXZIUCTXZGI-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-3-6-13(7-4-11)16-15(17)10-9-14-8-5-12(2)18-14/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,16,17)/b10-9+.
What are the key properties of (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 26877417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).