(E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

C19H21NO2 — CID 808606

IUPAC(E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C19H21NO2/c21-18(11-10-17-9-6-14-22-17)20-15-19(12-4-5-13-19)16-7-2-1-3-8-16/h1-3,6-11,14H,4-5,12-13,15H2,(H,20,21)/b11-10+
InChIKeyVTCISSYITXHBGE-ZHACJKMWSA-N
MW295.38 g/mol
LogP3.92
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide (PubChem CID 808606) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
PubChem CID808606
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C19H21NO2/c21-18(11-10-17-9-6-14-22-17)20-15-19(12-4-5-13-19)16-7-2-1-3-8-16/h1-3,6-11,14H,4-5,12-13,15H2,(H,20,21)/b11-10+
InChIKeyVTCISSYITXHBGE-ZHACJKMWSA-N
XLogP3.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide (CID 808606) is (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
The InChIKey is VTCISSYITXHBGE-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(11-10-17-9-6-14-22-17)20-15-19(12-4-5-13-19)16-7-2-1-3-8-16/h1-3,6-11,14H,4-5,12-13,15H2,(H,20,21)/b11-10+.
What are the key properties of (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 808606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).