2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide

C13H24N2O2 — CID 114105367

IUPAC2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NC(C)C1CCNC1
InChIInChI=1S/C13H24N2O2/c1-3-12-11(5-7-17-12)13(16)15-9(2)10-4-6-14-8-10/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyMMSRDOPDCFUPPT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.92
Rot. Bonds4

About 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide

2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide (PubChem CID 114105367) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide
PubChem CID114105367
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NC(C)C1CCNC1
InChIInChI=1S/C13H24N2O2/c1-3-12-11(5-7-17-12)13(16)15-9(2)10-4-6-14-8-10/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyMMSRDOPDCFUPPT-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 103977188
N-(1-piperidin-3-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 119260228
2-(oxolan-2-yl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977080
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride
CID 119260227
2-cyclopropyl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977089
(2R)-N-(1-cyclopropylethyl)morpholine-2-carboxamide
CID 131110683
N-(1-pyrrolidin-3-ylethyl)morpholine-4-carboxamide
CID 103977253
(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
CID 164655377
2-[(2-ethyloxolane-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114105119
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide?
The IUPAC name of 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide (CID 114105367) is 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide is CCC1OCCC1C(=O)NC(C)C1CCNC1.
What is the InChIKey of 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide?
The InChIKey is MMSRDOPDCFUPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-12-11(5-7-17-12)13(16)15-9(2)10-4-6-14-8-10/h9-12,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide?
2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 114105367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).