3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid

C22H19NO4 — CID 59752804

IUPAC3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)/C=C/c1ccc(-c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C22H19NO4/c24-21(23-19(15-22(25)26)20-7-4-14-27-20)13-10-16-8-11-18(12-9-16)17-5-2-1-3-6-17/h1-14,19H,15H2,(H,23,24)(H,25,26)/b13-10+
InChIKeyQCILCOZGBYXMLR-JLHYYAGUSA-N
MW361.40 g/mol
LogP4.29
Rot. Bonds7

About 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid

3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid (PubChem CID 59752804) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid
PubChem CID59752804
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)/C=C/c1ccc(-c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C22H19NO4/c24-21(23-19(15-22(25)26)20-7-4-14-27-20)13-10-16-8-11-18(12-9-16)17-5-2-1-3-6-17/h1-14,19H,15H2,(H,23,24)(H,25,26)/b13-10+
InChIKeyQCILCOZGBYXMLR-JLHYYAGUSA-N
XLogP4.29
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic 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)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
(3E)-N-[3-cyclopropylidene-1-(furan-2-yl)-3-methoxypropyl]-4-(4-phenylphenyl)buta-1,3-dien-2-amine
CID 89378134
(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
CID 2235057
(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 6057021
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoate
CID 59752693
4-amino-4-oxo-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 74314131
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9481779
(2R)-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79024008
2-(3-phenylprop-2-enoylamino)butanoic acid
CID 71386191
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid?
The IUPAC name of 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid (CID 59752804) is 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid.
What is the SMILES notation for 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid?
The canonical SMILES for 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid is O=C(O)CC(NC(=O)/C=C/c1ccc(-c2ccccc2)cc1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid?
The InChIKey is QCILCOZGBYXMLR-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H19NO4/c24-21(23-19(15-22(25)26)20-7-4-14-27-20)13-10-16-8-11-18(12-9-16)17-5-2-1-3-6-17/h1-14,19H,15H2,(H,23,24)(H,25,26)/b13-10+.
What are the key properties of 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid?
3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid has a molecular weight of 361.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid is sourced from PubChem (CID 59752804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).