N-(3-formamidopropyl)furan-2-carboxamide

C9H12N2O3 — CID 110461151

IUPACN-(3-formamidopropyl)furan-2-carboxamide
SMILESO=CNCCCNC(=O)c1ccco1
InChIInChI=1S/C9H12N2O3/c12-7-10-4-2-5-11-9(13)8-3-1-6-14-8/h1,3,6-7H,2,4-5H2,(H,10,12)(H,11,13)
InChIKeyHHTQBGIJIJIWCS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.15
Rot. Bonds6

About N-(3-formamidopropyl)furan-2-carboxamide

N-(3-formamidopropyl)furan-2-carboxamide (PubChem CID 110461151) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(3-formamidopropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)furan-2-carboxamide
PubChem CID110461151
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(3-formamidopropyl)furan-2-carboxamide
SMILESO=CNCCCNC(=O)c1ccco1
InChIInChI=1S/C9H12N2O3/c12-7-10-4-2-5-11-9(13)8-3-1-6-14-8/h1,3,6-7H,2,4-5H2,(H,10,12)(H,11,13)
InChIKeyHHTQBGIJIJIWCS-UHFFFAOYSA-N
XLogP0.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-(5-bromopentyl)furan-2-carboxamide
CID 107322078
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-[3-[(2-aminobenzoyl)amino]propyl]furan-2-carboxamide
CID 24824972
N-pent-4-ynylfuran-2-carboxamide
CID 103708847
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)furan-2-carboxamide?
The IUPAC name of N-(3-formamidopropyl)furan-2-carboxamide (CID 110461151) is N-(3-formamidopropyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-formamidopropyl)furan-2-carboxamide?
The canonical SMILES for N-(3-formamidopropyl)furan-2-carboxamide is O=CNCCCNC(=O)c1ccco1.
What is the InChIKey of N-(3-formamidopropyl)furan-2-carboxamide?
The InChIKey is HHTQBGIJIJIWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-7-10-4-2-5-11-9(13)8-3-1-6-14-8/h1,3,6-7H,2,4-5H2,(H,10,12)(H,11,13).
What are the key properties of N-(3-formamidopropyl)furan-2-carboxamide?
N-(3-formamidopropyl)furan-2-carboxamide has a molecular weight of 196.21 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)furan-2-carboxamide is sourced from PubChem (CID 110461151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).