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

C15H21NO2 — CID 55564815

IUPAC(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCC2CCCC2)o1
InChIInChI=1S/C15H21NO2/c1-12-6-7-14(18-12)8-9-15(17)16-11-10-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17)/b9-8+
InChIKeyUNCVIJKOICHVQI-CMDGGOBGSA-N
MW247.34 g/mol
LogP3.30
Rot. Bonds5

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

(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 55564815) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID55564815
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCC2CCCC2)o1
InChIInChI=1S/C15H21NO2/c1-12-6-7-14(18-12)8-9-15(17)16-11-10-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17)/b9-8+
InChIKeyUNCVIJKOICHVQI-CMDGGOBGSA-N
XLogP3.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
6-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid
CID 43091711
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115362561
N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide
CID 97359753
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26456915
3-(5-methylfuran-2-yl)-N-[4-methyl-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pentyl]prop-2-enamide
CID 72690283
(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923455
1-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435589
2-cyclohexyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetic acid
CID 61015151
(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26877417
N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 77114203
benzyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetate
CID 26878355

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 55564815) is (E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCC2CCCC2)o1.
What is the InChIKey of (E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is UNCVIJKOICHVQI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-6-7-14(18-12)8-9-15(17)16-11-10-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17)/b9-8+.
What are the key properties of (E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 55564815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).