N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide

C16H17NO4 — CID 72687447

IUPACN-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCOc1ccc(OC)cc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C16H17NO4/c1-3-20-15-8-6-13(19-2)11-14(15)17-16(18)9-7-12-5-4-10-21-12/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyUIUBIBSWAQUIQE-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.34
Rot. Bonds6

About N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide

N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 72687447) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID72687447
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCOc1ccc(OC)cc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C16H17NO4/c1-3-20-15-8-6-13(19-2)11-14(15)17-16(18)9-7-12-5-4-10-21-12/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyUIUBIBSWAQUIQE-UHFFFAOYSA-N
XLogP3.34
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate
CID 75269063
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 4797053
(E)-N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 885243
(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 26663841
3-(5-bromo-2-fluorophenyl)-N-(2-ethoxy-5-methoxyphenyl)prop-2-enamide
CID 72687951
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
2-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-methylphenoxy]acetic acid
CID 17362080
2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid
CID 77004994
(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 6214482
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methoxybenzoic acid
CID 17099408

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide (CID 72687447) is N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide is CCOc1ccc(OC)cc1NC(=O)C=Cc1ccco1.
What is the InChIKey of N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is UIUBIBSWAQUIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-20-15-8-6-13(19-2)11-14(15)17-16(18)9-7-12-5-4-10-21-12/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 287.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 72687447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).