N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide

C15H15NO4 — CID 44590926

IUPACN-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide
SMILESC=CCCNC(=O)c1ccc(-c2ccc(O)c(O)c2)o1
InChIInChI=1S/C15H15NO4/c1-2-3-8-16-15(19)14-7-6-13(20-14)10-4-5-11(17)12(18)9-10/h2,4-7,9,17-18H,1,3,8H2,(H,16,19)
InChIKeyUFNOUNZPASMZEM-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.66
Rot. Bonds5

About N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide

N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide (PubChem CID 44590926) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide
PubChem CID44590926
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC NameN-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide
SMILESC=CCCNC(=O)c1ccc(-c2ccc(O)c(O)c2)o1
InChIInChI=1S/C15H15NO4/c1-2-3-8-16-15(19)14-7-6-13(20-14)10-4-5-11(17)12(18)9-10/h2,4-7,9,17-18H,1,3,8H2,(H,16,19)
InChIKeyUFNOUNZPASMZEM-UHFFFAOYSA-N
XLogP2.66
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide?
The IUPAC name of N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide (CID 44590926) is N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide is C=CCCNC(=O)c1ccc(-c2ccc(O)c(O)c2)o1.
What is the InChIKey of N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide?
The InChIKey is UFNOUNZPASMZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-3-8-16-15(19)14-7-6-13(20-14)10-4-5-11(17)12(18)9-10/h2,4-7,9,17-18H,1,3,8H2,(H,16,19).
What are the key properties of N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide?
N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 44590926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).