N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide

C15H15NO4 — CID 2921877

IUPACN-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccco2)c(OC)c1
InChIInChI=1S/C15H15NO4/c1-18-12-5-7-13(14(10-12)19-2)16-15(17)8-6-11-4-3-9-20-11/h3-10H,1-2H3,(H,16,17)
InChIKeyKWRAJPRXFNECAS-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.95
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide

N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 2921877) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID2921877
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccco2)c(OC)c1
InChIInChI=1S/C15H15NO4/c1-18-12-5-7-13(14(10-12)19-2)16-15(17)8-6-11-4-3-9-20-11/h3-10H,1-2H3,(H,16,17)
InChIKeyKWRAJPRXFNECAS-UHFFFAOYSA-N
XLogP2.95
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.95
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

(E)-N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 885243
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate
CID 75269063
N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 72687447
(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552012
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
(E)-3-(furan-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2668862
(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 961103
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3977727
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229
methyl 5-bromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 8001465
4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methoxybenzoic acid
CID 107208592
2-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-methylphenoxy]acetic acid
CID 17362080

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide (CID 2921877) is N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide is COc1ccc(NC(=O)C=Cc2ccco2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is KWRAJPRXFNECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-18-12-5-7-13(14(10-12)19-2)16-15(17)8-6-11-4-3-9-20-11/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 273.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2921877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).