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

C14H23NO3 — CID 111789808

IUPACN-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1oc(C)cc1C
InChIInChI=1S/C14H23NO3/c1-5-11(6-2)12(16)8-15-14(17)13-9(3)7-10(4)18-13/h7,11-12,16H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyDQMGPOOHHJJDGW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds6

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

N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide (PubChem CID 111789808) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide
PubChem CID111789808
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1oc(C)cc1C
InChIInChI=1S/C14H23NO3/c1-5-11(6-2)12(16)8-15-14(17)13-9(3)7-10(4)18-13/h7,11-12,16H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyDQMGPOOHHJJDGW-UHFFFAOYSA-N
XLogP2.42
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 113248507
N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide
CID 103770620
N-(2-ethyl-2-hydroxybutyl)-3,5-dimethylfuran-2-carboxamide
CID 111780822
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride
CID 119547985
N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
CID 103658436
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
2-[[(3,5-dimethylfuran-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232112
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
CID 111115894
(2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid
CID 103791172
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide (CID 111789808) is N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide is CCC(CC)C(O)CNC(=O)c1oc(C)cc1C.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide?
The InChIKey is DQMGPOOHHJJDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-11(6-2)12(16)8-15-14(17)13-9(3)7-10(4)18-13/h7,11-12,16H,5-6,8H2,1-4H3,(H,15,17).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 111789808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).