N-(4,4-dimethylpentyl)furan-3-carboxamide

C12H19NO2 — CID 20774387

IUPACN-(4,4-dimethylpentyl)furan-3-carboxamide
SMILESCC(C)(C)CCCNC(=O)c1ccoc1
InChIInChI=1S/C12H19NO2/c1-12(2,3)6-4-7-13-11(14)10-5-8-15-9-10/h5,8-9H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyVALUOALTWFOJJT-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.84
Rot. Bonds4

About N-(4,4-dimethylpentyl)furan-3-carboxamide

N-(4,4-dimethylpentyl)furan-3-carboxamide (PubChem CID 20774387) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)furan-3-carboxamide
PubChem CID20774387
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(4,4-dimethylpentyl)furan-3-carboxamide
SMILESCC(C)(C)CCCNC(=O)c1ccoc1
InChIInChI=1S/C12H19NO2/c1-12(2,3)6-4-7-13-11(14)10-5-8-15-9-10/h5,8-9H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyVALUOALTWFOJJT-UHFFFAOYSA-N
XLogP2.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.84
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-pentylfuran-3-carboxamide
CID 91139562
N-decylfuran-3-carboxamide
CID 117059205
N-(4-amino-2,2-dimethylbutyl)furan-3-carboxamide
CID 106139606
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
N-(3-bromobutyl)furan-3-carboxamide
CID 114312390
N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
N-[3-(2-aminoethoxy)propyl]furan-3-carboxamide
CID 106307825
N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide
CID 24532417
N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
CID 24532323
N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide
CID 130266298
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
butyl 3-(furan-3-carbonylamino)propanoate
CID 112727943

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)furan-3-carboxamide?
The IUPAC name of N-(4,4-dimethylpentyl)furan-3-carboxamide (CID 20774387) is N-(4,4-dimethylpentyl)furan-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)furan-3-carboxamide?
The canonical SMILES for N-(4,4-dimethylpentyl)furan-3-carboxamide is CC(C)(C)CCCNC(=O)c1ccoc1.
What is the InChIKey of N-(4,4-dimethylpentyl)furan-3-carboxamide?
The InChIKey is VALUOALTWFOJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)6-4-7-13-11(14)10-5-8-15-9-10/h5,8-9H,4,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-(4,4-dimethylpentyl)furan-3-carboxamide?
N-(4,4-dimethylpentyl)furan-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)furan-3-carboxamide is sourced from PubChem (CID 20774387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).