3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide

C15H14N2O4 — CID 2933195

IUPAC3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1
InChIInChI=1S/C15H14N2O4/c1-10-9-12(17(19)20)4-7-14(10)16-15(18)8-6-13-5-3-11(2)21-13/h3-9H,1-2H3,(H,16,18)
InChIKeyGFBWPXRSDAIGHX-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.46
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide

3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide (PubChem CID 2933195) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
PubChem CID2933195
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1
InChIInChI=1S/C15H14N2O4/c1-10-9-12(17(19)20)4-7-14(10)16-15(18)8-6-13-5-3-11(2)21-13/h3-9H,1-2H3,(H,16,18)
InChIKeyGFBWPXRSDAIGHX-UHFFFAOYSA-N
XLogP3.46
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-methylfuran-2-yl)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]prop-2-enamide
CID 4635376
3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2931896
N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 43699406
(E)-N-(2-methylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 800692
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide
CID 60540583
3-(2,4-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 3606072
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
(E)-3-(2-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 6272482
N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5053841
(E)-N-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112
N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 887928

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide (CID 2933195) is 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The InChIKey is GFBWPXRSDAIGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-9-12(17(19)20)4-7-14(10)16-15(18)8-6-13-5-3-11(2)21-13/h3-9H,1-2H3,(H,16,18).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide has a molecular weight of 286.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 2933195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).