N-(4-aminobutyl)furan-2-carboxamide

C9H14N2O2 — CID 14423349

IUPACN-(4-aminobutyl)furan-2-carboxamide
SMILESNCCCCNC(=O)c1ccco1
InChIInChI=1S/C9H14N2O2/c10-5-1-2-6-11-9(12)8-4-3-7-13-8/h3-4,7H,1-2,5-6,10H2,(H,11,12)
InChIKeyNIOYNJLZTWESHG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.75
Rot. Bonds5

About N-(4-aminobutyl)furan-2-carboxamide

N-(4-aminobutyl)furan-2-carboxamide (PubChem CID 14423349) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(4-aminobutyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)furan-2-carboxamide
PubChem CID14423349
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(4-aminobutyl)furan-2-carboxamide
SMILESNCCCCNC(=O)c1ccco1
InChIInChI=1S/C9H14N2O2/c10-5-1-2-6-11-9(12)8-4-3-7-13-8/h3-4,7H,1-2,5-6,10H2,(H,11,12)
InChIKeyNIOYNJLZTWESHG-UHFFFAOYSA-N
XLogP0.75
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.75
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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Related Compounds

N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-(5-bromopentyl)furan-2-carboxamide
CID 107322078
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-(3-formamidopropyl)furan-2-carboxamide
CID 110461151
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-pent-4-ynylfuran-2-carboxamide
CID 103708847
N-[3-[(2-aminobenzoyl)amino]propyl]furan-2-carboxamide
CID 24824972
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)furan-2-carboxamide?
The IUPAC name of N-(4-aminobutyl)furan-2-carboxamide (CID 14423349) is N-(4-aminobutyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)furan-2-carboxamide?
The canonical SMILES for N-(4-aminobutyl)furan-2-carboxamide is NCCCCNC(=O)c1ccco1.
What is the InChIKey of N-(4-aminobutyl)furan-2-carboxamide?
The InChIKey is NIOYNJLZTWESHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-5-1-2-6-11-9(12)8-4-3-7-13-8/h3-4,7H,1-2,5-6,10H2,(H,11,12).
What are the key properties of N-(4-aminobutyl)furan-2-carboxamide?
N-(4-aminobutyl)furan-2-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)furan-2-carboxamide is sourced from PubChem (CID 14423349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).