3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide

C12H22N2O2 — CID 63361296

IUPAC3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC2CCCOC2)CCNC1
InChIInChI=1S/C12H22N2O2/c1-2-12(5-6-13-9-12)11(15)14-10-4-3-7-16-8-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyKIGRRHSQIAUXNQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds3

About 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide

3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide (PubChem CID 63361296) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide
PubChem CID63361296
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC2CCCOC2)CCNC1
InChIInChI=1S/C12H22N2O2/c1-2-12(5-6-13-9-12)11(15)14-10-4-3-7-16-8-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyKIGRRHSQIAUXNQ-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
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CID 55166675
N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980679
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
N-(2,2-diethyloxan-4-yl)-3-ethylpiperidine-3-carboxamide
CID 83036475
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
3-ethyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 63135196
3-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55164169
3-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63142330
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide (CID 63361296) is 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide is CCC1(C(=O)NC2CCCOC2)CCNC1.
What is the InChIKey of 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is KIGRRHSQIAUXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-12(5-6-13-9-12)11(15)14-10-4-3-7-16-8-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide?
3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63361296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).