3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide

C16H17NO3 — CID 4820314

IUPAC3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccccc1C(C)NC(=O)C=Cc1ccco1
InChIInChI=1S/C16H17NO3/c1-12(14-7-3-4-8-15(14)19-2)17-16(18)10-9-13-6-5-11-20-13/h3-12H,1-2H3,(H,17,18)
InChIKeyOGTXMGUJRWTKSG-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.18
Rot. Bonds5

About 3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide

3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide (PubChem CID 4820314) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
PubChem CID4820314
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccccc1C(C)NC(=O)C=Cc1ccco1
InChIInChI=1S/C16H17NO3/c1-12(14-7-3-4-8-15(14)19-2)17-16(18)10-9-13-6-5-11-20-13/h3-12H,1-2H3,(H,17,18)
InChIKeyOGTXMGUJRWTKSG-UHFFFAOYSA-N
XLogP3.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.18
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-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9048389
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 47101319
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 51144624
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 918034
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618984
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide (CID 4820314) is 3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide is COc1ccccc1C(C)NC(=O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is OGTXMGUJRWTKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(14-7-3-4-8-15(14)19-2)17-16(18)10-9-13-6-5-11-20-13/h3-12H,1-2H3,(H,17,18).
What are the key properties of 3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide?
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 3.18, 5 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-[1-(2-methoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 4820314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).