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

C16H17NO3 — CID 963759

IUPAC3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(CCNC(=O)C=Cc2ccco2)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)
InChIKeySVIXAVYOZHEJAV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.66
Rot. Bonds6

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

3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide (PubChem CID 963759) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
PubChem CID963759
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(CCNC(=O)C=Cc2ccco2)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)
InChIKeySVIXAVYOZHEJAV-UHFFFAOYSA-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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Related Compounds

(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3984156
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 27447138
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 922444
(E)-N-[2-(furan-2-yl)ethyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9184707
3-(furan-2-yl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
CID 5209518
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 60619034
(E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
3-[3-(furan-2-yl)prop-2-enoylamino]-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
CID 76870607

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide (CID 963759) is 3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide is COc1ccc(CCNC(=O)C=Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is SVIXAVYOZHEJAV-UHFFFAOYSA-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).
What are the key properties of 3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide?
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 3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 963759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).