2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid

C23H21NO4 — CID 74063736

IUPAC2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid
SMILESCCCc1ccc(-c2ccc(C=C(NC(=O)c3ccccc3)C(=O)O)o2)cc1
InChIInChI=1S/C23H21NO4/c1-2-6-16-9-11-17(12-10-16)21-14-13-19(28-21)15-20(23(26)27)24-22(25)18-7-4-3-5-8-18/h3-5,7-15H,2,6H2,1H3,(H,24,25)(H,26,27)
InChIKeyVPINMBDIDQGGOO-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.75
Rot. Bonds7

About 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid

2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid (PubChem CID 74063736) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid
PubChem CID74063736
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid
SMILESCCCc1ccc(-c2ccc(C=C(NC(=O)c3ccccc3)C(=O)O)o2)cc1
InChIInChI=1S/C23H21NO4/c1-2-6-16-9-11-17(12-10-16)21-14-13-19(28-21)15-20(23(26)27)24-22(25)18-7-4-3-5-8-18/h3-5,7-15H,2,6H2,1H3,(H,24,25)(H,26,27)
InChIKeyVPINMBDIDQGGOO-UHFFFAOYSA-N
XLogP4.75
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.75
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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Related Compounds

(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
CID 58631623
(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 10362945
(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148090
(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148076
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
CID 6480681
(E)-2-[(2-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148255
(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148599
N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 34318326
N-[(Z)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 124657322
N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 19057688
N-[1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]prop-1-en-2-yl]benzamide
CID 3990191
N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
CID 5292556

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid?
The IUPAC name of 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid (CID 74063736) is 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid.
What is the SMILES notation for 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid?
The canonical SMILES for 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid is CCCc1ccc(-c2ccc(C=C(NC(=O)c3ccccc3)C(=O)O)o2)cc1.
What is the InChIKey of 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid?
The InChIKey is VPINMBDIDQGGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-2-6-16-9-11-17(12-10-16)21-14-13-19(28-21)15-20(23(26)27)24-22(25)18-7-4-3-5-8-18/h3-5,7-15H,2,6H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid?
2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid has a molecular weight of 375.42 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid is sourced from PubChem (CID 74063736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).