3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid

C16H15NO4 — CID 76907525

IUPAC3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
SMILESCc1ccc(C=CC(=O)O)cc1NC(=O)c1ccoc1C
InChIInChI=1S/C16H15NO4/c1-10-3-4-12(5-6-15(18)19)9-14(10)17-16(20)13-7-8-21-11(13)2/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyTYVIRBPFBQQYIR-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.25
Rot. Bonds4

About 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid

3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid (PubChem CID 76907525) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
PubChem CID76907525
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
SMILESCc1ccc(C=CC(=O)O)cc1NC(=O)c1ccoc1C
InChIInChI=1S/C16H15NO4/c1-10-3-4-12(5-6-15(18)19)9-14(10)17-16(20)13-7-8-21-11(13)2/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyTYVIRBPFBQQYIR-UHFFFAOYSA-N
XLogP3.25
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-methyl-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

(E)-3-[3-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 107580197
(E)-3-[3-(methoxycarbonylamino)-4-methylphenyl]prop-2-enoic acid
CID 94230901
3-[3-methyl-4-[(4-methylthiophene-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 79807899
3-[4-methyl-3-(pyridine-3-carbonylamino)phenyl]prop-2-enoic acid
CID 76907410
(E)-3-[4-chloro-3-[(2-methylbenzoyl)amino]phenyl]prop-2-enoic acid
CID 91688659
(E)-3-[2-fluoro-5-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 104781347
(E)-3-(4-acetamido-3-methylphenyl)prop-2-enoic acid
CID 18321824
(E)-3-[3-(2-cyclopropylpropanoylamino)-4-methylphenyl]prop-2-enoic acid
CID 83149473
(E)-3-[4-methyl-3-(propan-2-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 109375048
4-hydroxy-3-[(2-methylfuran-3-carbonyl)amino]benzoic acid
CID 107264605
(E)-3-[5-[(2-chlorofuran-3-carbonyl)amino]-2-methylphenyl]prop-2-enoic acid
CID 106689551
3-(3-methoxycarbonyl-4-methylphenyl)prop-2-enoic acid
CID 169460774

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid (CID 76907525) is 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid is Cc1ccc(C=CC(=O)O)cc1NC(=O)c1ccoc1C.
What is the InChIKey of 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid?
The InChIKey is TYVIRBPFBQQYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-3-4-12(5-6-15(18)19)9-14(10)17-16(20)13-7-8-21-11(13)2/h3-9H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid?
3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid has a molecular weight of 285.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid is sourced from PubChem (CID 76907525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).