(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide

C16H17NO3 — CID 963760

IUPAC(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(CCNC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-6-4-13(5-7-14)10-11-17-16(18)9-8-15-3-2-12-20-15/h2-9,12H,10-11H2,1H3,(H,17,18)/b9-8+
InChIKeySVIXAVYOZHEJAV-CMDGGOBGSA-N
MW271.32 g/mol
LogP2.66
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide (PubChem CID 963760) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
PubChem CID963760
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(CCNC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-6-4-13(5-7-14)10-11-17-16(18)9-8-15-3-2-12-20-15/h2-9,12H,10-11H2,1H3,(H,17,18)/b9-8+
InChIKeySVIXAVYOZHEJAV-CMDGGOBGSA-N
XLogP2.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(4-methoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide (CID 963760) is (E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide is COc1ccc(CCNC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is SVIXAVYOZHEJAV-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-14-6-4-13(5-7-14)10-11-17-16(18)9-8-15-3-2-12-20-15/h2-9,12H,10-11H2,1H3,(H,17,18)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 963760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).