N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide

C12H19NO3 — CID 107202593

IUPACN-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)CCCCCO
InChIInChI=1S/C12H19NO3/c1-10-11(6-9-16-10)12(15)13(2)7-4-3-5-8-14/h6,9,14H,3-5,7-8H2,1-2H3
InChIKeyGCTMHTZJYPYMHD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.82
Rot. Bonds6

About N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide

N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide (PubChem CID 107202593) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
PubChem CID107202593
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)CCCCCO
InChIInChI=1S/C12H19NO3/c1-10-11(6-9-16-10)12(15)13(2)7-4-3-5-8-14/h6,9,14H,3-5,7-8H2,1-2H3
InChIKeyGCTMHTZJYPYMHD-UHFFFAOYSA-N
XLogP1.82
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide
CID 107205486
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
N-(2-aminopropyl)-N,2-dimethylfuran-3-carboxamide
CID 63755935
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide
CID 56758649
2-[[5-hydroxypentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 107200663
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide (CID 107202593) is N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide is Cc1occc1C(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide?
The InChIKey is GCTMHTZJYPYMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10-11(6-9-16-10)12(15)13(2)7-4-3-5-8-14/h6,9,14H,3-5,7-8H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide?
N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 107202593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).