(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide

C14H12N2O5 — CID 17101941

IUPAC(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c1-20-13-6-4-10(9-12(13)16(18)19)15-14(17)7-5-11-3-2-8-21-11/h2-9H,1H3,(H,15,17)/b7-5+
InChIKeyAIOIHONBMSUPIL-FNORWQNLSA-N
MW288.26 g/mol
LogP2.85
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide (PubChem CID 17101941) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
PubChem CID17101941
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5/c1-20-13-6-4-10(9-12(13)16(18)19)15-14(17)7-5-11-3-2-8-21-11/h2-9H,1H3,(H,15,17)/b7-5+
InChIKeyAIOIHONBMSUPIL-FNORWQNLSA-N
XLogP2.85
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 961103
(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 84552248
4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methoxybenzoic acid
CID 107208592
(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17101982
N-(3,4-dimethoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 1223760
(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 6214482
3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
CID 695792
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide
CID 8922508
(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
CID 91684043
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide (CID 17101941) is (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccco2)cc1[N+](=O)[O-].
What is the InChIKey of (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide?
The InChIKey is AIOIHONBMSUPIL-FNORWQNLSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-20-13-6-4-10(9-12(13)16(18)19)15-14(17)7-5-11-3-2-8-21-11/h2-9H,1H3,(H,15,17)/b7-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide has a molecular weight of 288.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 17101941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).