methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate

C16H15NO4 — CID 43409527

IUPACmethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C16H15NO4/c1-17(15(18)10-9-12-6-5-11-21-12)14-8-4-3-7-13(14)16(19)20-2/h3-11H,1-2H3/b10-9+
InChIKeyAAZQRSPHTFJSOY-MDZDMXLPSA-N
MW285.30 g/mol
LogP2.74
Rot. Bonds4

About methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate

methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate (PubChem CID 43409527) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate
PubChem CID43409527
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C16H15NO4/c1-17(15(18)10-9-12-6-5-11-21-12)14-8-4-3-7-13(14)16(19)20-2/h3-11H,1-2H3/b10-9+
InChIKeyAAZQRSPHTFJSOY-MDZDMXLPSA-N
XLogP2.74
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate 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)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
dimethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate
CID 5342219
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate
CID 75269063
methyl 5-bromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 8001465
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-propylamino]acetate
CID 54941749
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
methyl (3S)-3-[3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-6,6-dimethyl-4-oxocyclohexene-1-carboxylate
CID 163178305

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate?
The IUPAC name of methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate (CID 43409527) is methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate.
What is the SMILES notation for methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate?
The canonical SMILES for methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate is COC(=O)c1ccccc1N(C)C(=O)/C=C/c1ccco1.
What is the InChIKey of methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate?
The InChIKey is AAZQRSPHTFJSOY-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17(15(18)10-9-12-6-5-11-21-12)14-8-4-3-7-13(14)16(19)20-2/h3-11H,1-2H3/b10-9+.
What are the key properties of methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate?
methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]benzoate is sourced from PubChem (CID 43409527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).