[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C16H15NO5 — CID 2506565

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCOc1cccc(NC(=O)COC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C16H15NO5/c1-20-14-5-2-4-12(10-14)17-15(18)11-22-16(19)8-7-13-6-3-9-21-13/h2-10H,11H2,1H3,(H,17,18)/b8-7+
InChIKeyWSKXOBDZOLJWLI-BQYQJAHWSA-N
MW301.30 g/mol
LogP2.48
Rot. Bonds6

About [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2506565) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2506565
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCOc1cccc(NC(=O)COC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C16H15NO5/c1-20-14-5-2-4-12(10-14)17-15(18)11-22-16(19)8-7-13-6-3-9-21-13/h2-10H,11H2,1H3,(H,17,18)/b8-7+
InChIKeyWSKXOBDZOLJWLI-BQYQJAHWSA-N
XLogP2.48
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate 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

N-Phenyl-2-furancarboxamide
CID 220406
N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
4'-Methoxy-2-furanilide
CID 303388
N-(4-Fluorophenyl)-2-furamide
CID 531893
N-(3,4-difluorophenyl)furan-2-carboxamide
CID 743722
(2Z)-3-(2-furyl)-N-(2-methoxyphenyl)acrylamide
CID 2303040
N-(3-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 3006138
N-(3-methoxyphenyl)furan-2-carboxamide
CID 669405
2'-Methoxy-4'-nitro-2-furanilide
CID 2886159
Cambridge id 5798025
CID 744285
Methyl [4-(2-furoylamino)phenoxy]acetate
CID 892442
3-[(4-Methoxybenzoyl)amino]phenyl 2-furoate
CID 902569

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 2506565) is [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is COc1cccc(NC(=O)COC(=O)/C=C/c2ccco2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is WSKXOBDZOLJWLI-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-14-5-2-4-12(10-14)17-15(18)11-22-16(19)8-7-13-6-3-9-21-13/h2-10H,11H2,1H3,(H,17,18)/b8-7+.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 301.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2506565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).