(E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid

C15H13NO4 — CID 777625

IUPAC(E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
SMILESCc1occc1C(=O)Nc1cccc(/C=C/C(=O)O)c1
InChIInChI=1S/C15H13NO4/c1-10-13(7-8-20-10)15(19)16-12-4-2-3-11(9-12)5-6-14(17)18/h2-9H,1H3,(H,16,19)(H,17,18)/b6-5+
InChIKeyUPNJESAKACHFLN-AATRIKPKSA-N
MW271.27 g/mol
LogP2.94
Rot. Bonds4

About (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid

(E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid (PubChem CID 777625) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
PubChem CID777625
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
SMILESCc1occc1C(=O)Nc1cccc(/C=C/C(=O)O)c1
InChIInChI=1S/C15H13NO4/c1-10-13(7-8-20-10)15(19)16-12-4-2-3-11(9-12)5-6-14(17)18/h2-9H,1H3,(H,16,19)(H,17,18)/b6-5+
InChIKeyUPNJESAKACHFLN-AATRIKPKSA-N
XLogP2.94
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid 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

Methfuroxam
CID 34313
Fenfuram
CID 90590
2,5-Dimethyl-3-furancarboxanilide
CID 34281
2,5-dimethyl-N-naphthalen-2-ylfuran-3-carboxamide
CID 757751
3-{3-[(2-Methyl-5-phenyl-3-furoyl)amino]phenyl}acrylic acid
CID 673109
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 2932860
2,5-dimethyl-N-naphthalen-1-ylfuran-3-carboxamide
CID 705541
4-{[2-Fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}furan-3-carboxylic acid
CID 23647309
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
2-methyl-N-(2-methyl-3-nitrophenyl)furan-3-carboxamide
CID 1244137
N-[4-(benzyloxy)phenyl]-2,5-dimethyl-3-furamide
CID 1247120

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid (CID 777625) is (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid is Cc1occc1C(=O)Nc1cccc(/C=C/C(=O)O)c1.
What is the InChIKey of (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid?
The InChIKey is UPNJESAKACHFLN-AATRIKPKSA-N. The full InChI is InChI=1S/C15H13NO4/c1-10-13(7-8-20-10)15(19)16-12-4-2-3-11(9-12)5-6-14(17)18/h2-9H,1H3,(H,16,19)(H,17,18)/b6-5+.
What are the key properties of (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid?
(E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid is sourced from PubChem (CID 777625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).