2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide

C14H22N2O2 — CID 103977183

IUPAC2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C)C2CCNC2)c1C
InChIInChI=1S/C14H22N2O2/c1-8-10(3)18-11(4)13(8)14(17)16-9(2)12-5-6-15-7-12/h9,12,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyNXKZIKBHMNWUES-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.93
Rot. Bonds3

About 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide

2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide (PubChem CID 103977183) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide
PubChem CID103977183
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C)C2CCNC2)c1C
InChIInChI=1S/C14H22N2O2/c1-8-10(3)18-11(4)13(8)14(17)16-9(2)12-5-6-15-7-12/h9,12,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyNXKZIKBHMNWUES-UHFFFAOYSA-N
XLogP1.93
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride
CID 119473975
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977252
3-methyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119474248
2-cyclopropyl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977089
N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 103977188
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 107721874
4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 81485921
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 77057586

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide (CID 103977183) is 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide is Cc1oc(C)c(C(=O)NC(C)C2CCNC2)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide?
The InChIKey is NXKZIKBHMNWUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8-10(3)18-11(4)13(8)14(17)16-9(2)12-5-6-15-7-12/h9,12,15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide?
2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(1-pyrrolidin-3-ylethyl)furan-3-carboxamide is sourced from PubChem (CID 103977183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).