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

C16H17NO4 — CID 44590925

IUPACN-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(-c2ccc(O)c(O)c2)o1
InChIInChI=1S/C16H17NO4/c18-12-6-5-10(9-13(12)19)14-7-8-15(21-14)16(20)17-11-3-1-2-4-11/h5-9,11,18-19H,1-4H2,(H,17,20)
InChIKeyUUZIUCDTOXNOHT-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.03
Rot. Bonds3

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

N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide (PubChem CID 44590925) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide
PubChem CID44590925
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(-c2ccc(O)c(O)c2)o1
InChIInChI=1S/C16H17NO4/c18-12-6-5-10(9-13(12)19)14-7-8-15(21-14)16(20)17-11-3-1-2-4-11/h5-9,11,18-19H,1-4H2,(H,17,20)
InChIKeyUUZIUCDTOXNOHT-UHFFFAOYSA-N
XLogP3.03
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide (CID 44590925) is N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide is O=C(NC1CCCC1)c1ccc(-c2ccc(O)c(O)c2)o1.
What is the InChIKey of N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide?
The InChIKey is UUZIUCDTOXNOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-12-6-5-10(9-13(12)19)14-7-8-15(21-14)16(20)17-11-3-1-2-4-11/h5-9,11,18-19H,1-4H2,(H,17,20).
What are the key properties of N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide?
N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3,4-dihydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 44590925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).