(Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid

C16H15NO4 — CID 5423289

IUPAC(Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid
SMILESCc1ccc(C(=O)N/C(=C\c2ccc(C)o2)C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c1-10-3-6-12(7-4-10)15(18)17-14(16(19)20)9-13-8-5-11(2)21-13/h3-9H,1-2H3,(H,17,18)(H,19,20)/b14-9-
InChIKeyVQEMTCLPXSJSEH-ZROIWOOFSA-N
MW285.30 g/mol
LogP2.75
Rot. Bonds4

About (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid

(Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid (PubChem CID 5423289) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid
PubChem CID5423289
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid
SMILESCc1ccc(C(=O)N/C(=C\c2ccc(C)o2)C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c1-10-3-6-12(7-4-10)15(18)17-14(16(19)20)9-13-8-5-11(2)21-13/h3-9H,1-2H3,(H,17,18)(H,19,20)/b14-9-
InChIKeyVQEMTCLPXSJSEH-ZROIWOOFSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid (CID 5423289) is (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid is Cc1ccc(C(=O)N/C(=C\c2ccc(C)o2)C(=O)O)cc1.
What is the InChIKey of (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid?
The InChIKey is VQEMTCLPXSJSEH-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-3-6-12(7-4-10)15(18)17-14(16(19)20)9-13-8-5-11(2)21-13/h3-9H,1-2H3,(H,17,18)(H,19,20)/b14-9-.
What are the key properties of (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid?
(Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(4-methylbenzoyl)amino]-3-(5-methylfuran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 5423289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).