N-(butylcarbamoyl)furan-2-carboxamide

C10H14N2O3 — CID 3060900

IUPACN-(butylcarbamoyl)furan-2-carboxamide
SMILESCCCCNC(=O)NC(=O)c1ccco1
InChIInChI=1S/C10H14N2O3/c1-2-3-6-11-10(14)12-9(13)8-5-4-7-15-8/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13,14)
InChIKeyODDMOEUFWQJITO-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.52
Rot. Bonds4

About N-(butylcarbamoyl)furan-2-carboxamide

N-(butylcarbamoyl)furan-2-carboxamide (PubChem CID 3060900) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-(butylcarbamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)furan-2-carboxamide
PubChem CID3060900
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-(butylcarbamoyl)furan-2-carboxamide
SMILESCCCCNC(=O)NC(=O)c1ccco1
InChIInChI=1S/C10H14N2O3/c1-2-3-6-11-10(14)12-9(13)8-5-4-7-15-8/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13,14)
InChIKeyODDMOEUFWQJITO-UHFFFAOYSA-N
XLogP1.52
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)furan-2-carboxamide?
The IUPAC name of N-(butylcarbamoyl)furan-2-carboxamide (CID 3060900) is N-(butylcarbamoyl)furan-2-carboxamide.
What is the SMILES notation for N-(butylcarbamoyl)furan-2-carboxamide?
The canonical SMILES for N-(butylcarbamoyl)furan-2-carboxamide is CCCCNC(=O)NC(=O)c1ccco1.
What is the InChIKey of N-(butylcarbamoyl)furan-2-carboxamide?
The InChIKey is ODDMOEUFWQJITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-6-11-10(14)12-9(13)8-5-4-7-15-8/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13,14).
What are the key properties of N-(butylcarbamoyl)furan-2-carboxamide?
N-(butylcarbamoyl)furan-2-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)furan-2-carboxamide is sourced from PubChem (CID 3060900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).