N-pentylfuran-3-carboxamide

C10H15NO2 — CID 91139562

IUPACN-pentylfuran-3-carboxamide
SMILESCCCCCNC(=O)c1ccoc1
InChIInChI=1S/C10H15NO2/c1-2-3-4-6-11-10(12)9-5-7-13-8-9/h5,7-8H,2-4,6H2,1H3,(H,11,12)
InChIKeyBIGZHCQAYRYVAK-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.20
Rot. Bonds5

About N-pentylfuran-3-carboxamide

N-pentylfuran-3-carboxamide (PubChem CID 91139562) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-pentylfuran-3-carboxamide.

Molecular Properties

Compound NameN-pentylfuran-3-carboxamide
PubChem CID91139562
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC NameN-pentylfuran-3-carboxamide
SMILESCCCCCNC(=O)c1ccoc1
InChIInChI=1S/C10H15NO2/c1-2-3-4-6-11-10(12)9-5-7-13-8-9/h5,7-8H,2-4,6H2,1H3,(H,11,12)
InChIKeyBIGZHCQAYRYVAK-UHFFFAOYSA-N
XLogP2.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decylfuran-3-carboxamide
CID 117059205
butyl 3-(furan-3-carbonylamino)propanoate
CID 112727943
N-(4,4-dimethylpentyl)furan-3-carboxamide
CID 20774387
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
N-(3-bromobutyl)furan-3-carboxamide
CID 114312390
N-[3-(2-aminoethoxy)propyl]furan-3-carboxamide
CID 106307825
N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide
CID 24532417
N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide
CID 46431023
N-pentylpyridine-4-carboxamide
CID 2307296
4-bromo-N-pentylbenzamide
CID 4167913
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807

Frequently Asked Questions

What is the IUPAC name of N-pentylfuran-3-carboxamide?
The IUPAC name of N-pentylfuran-3-carboxamide (CID 91139562) is N-pentylfuran-3-carboxamide.
What is the SMILES notation for N-pentylfuran-3-carboxamide?
The canonical SMILES for N-pentylfuran-3-carboxamide is CCCCCNC(=O)c1ccoc1.
What is the InChIKey of N-pentylfuran-3-carboxamide?
The InChIKey is BIGZHCQAYRYVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-6-11-10(12)9-5-7-13-8-9/h5,7-8H,2-4,6H2,1H3,(H,11,12).
What are the key properties of N-pentylfuran-3-carboxamide?
N-pentylfuran-3-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylfuran-3-carboxamide is sourced from PubChem (CID 91139562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).