2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide

C13H19NO3 — CID 6467087

IUPAC2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCCO2)c(C)o1
InChIInChI=1S/C13H19NO3/c1-8-7-11(10(3)17-8)13(15)14-9(2)12-5-4-6-16-12/h7,9,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyAHMXBVWBAAPFBY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.19
Rot. Bonds3

About 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide

2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide (PubChem CID 6467087) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide
PubChem CID6467087
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCCO2)c(C)o1
InChIInChI=1S/C13H19NO3/c1-8-7-11(10(3)17-8)13(15)14-9(2)12-5-4-6-16-12/h7,9,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyAHMXBVWBAAPFBY-UHFFFAOYSA-N
XLogP2.19
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43359
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CID 831995
2-[(2,5-Dimethylfuran-3-yl)formamido]acetic acid
CID 1085174
N-benzyl-2-methylfuran-3-carboxamide
CID 690372
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
CID 2932803
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
Cyclafuramid
CID 93178
N-cycloheptyl-2-methylfuran-3-carboxamide
CID 874225
2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
CID 2165345
N-[2-(1-cyclohexen-1-yl)ethyl]-2,5-dimethyl-3-furamide
CID 2712666

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide (CID 6467087) is 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide is Cc1cc(C(=O)NC(C)C2CCCO2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide?
The InChIKey is AHMXBVWBAAPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-7-11(10(3)17-8)13(15)14-9(2)12-5-4-6-16-12/h7,9,12H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 6467087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).