(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid

C20H15NO6 — CID 22148076

IUPAC(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C20H15NO6/c22-14-8-13(9-15(23)10-14)19(24)21-17(20(25)26)11-16-6-7-18(27-16)12-4-2-1-3-5-12/h1-11,22-23H,(H,21,24)(H,25,26)/b17-11+
InChIKeyVYIBTNDYLIRQKO-GZTJUZNOSA-N
MW365.34 g/mol
LogP3.21
Rot. Bonds5

About (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid

(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid (PubChem CID 22148076) has the molecular formula C20H15NO6 and a molecular weight of 365.34 g/mol. Its IUPAC name is (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
PubChem CID22148076
Molecular FormulaC20H15NO6
Molecular Weight365.34 g/mol
Exact Mass365.09
IUPAC Name(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C20H15NO6/c22-14-8-13(9-15(23)10-14)19(24)21-17(20(25)26)11-16-6-7-18(27-16)12-4-2-1-3-5-12/h1-11,22-23H,(H,21,24)(H,25,26)/b17-11+
InChIKeyVYIBTNDYLIRQKO-GZTJUZNOSA-N
XLogP3.21
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148090
(E)-2-[(2-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148255
(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 10362945
(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
CID 58631623
2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid
CID 74063736
(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148599
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
CID 6480681
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
2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 76823927
N-[(Z)-3-(dimethylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 2188248
N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 34318326

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid (CID 22148076) is (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid is O=C(O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
The InChIKey is VYIBTNDYLIRQKO-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H15NO6/c22-14-8-13(9-15(23)10-14)19(24)21-17(20(25)26)11-16-6-7-18(27-16)12-4-2-1-3-5-12/h1-11,22-23H,(H,21,24)(H,25,26)/b17-11+.
What are the key properties of (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid?
(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid has a molecular weight of 365.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid is sourced from PubChem (CID 22148076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).