2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide

C13H24N2O2 — CID 83072536

IUPAC2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2CCCCO2)CCCN1
InChIInChI=1S/C13H24N2O2/c1-2-13(7-5-8-15-13)12(16)14-10-11-6-3-4-9-17-11/h11,15H,2-10H2,1H3,(H,14,16)
InChIKeyXSSKBZWQHDBDCW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds4

About 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide

2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 83072536) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID83072536
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2CCCCO2)CCCN1
InChIInChI=1S/C13H24N2O2/c1-2-13(7-5-8-15-13)12(16)14-10-11-6-3-4-9-17-11/h11,15H,2-10H2,1H3,(H,14,16)
InChIKeyXSSKBZWQHDBDCW-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63142330
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
CID 117271043
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071732
N-methyl-N-(oxolan-2-ylmethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974973
N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 104594958
N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 83074640
N-(2,6-dimethylpiperidin-1-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83074390
N-[(2-methylpyrrolidin-2-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114761731
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide
CID 114009242

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 83072536) is 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide is CCC1(C(=O)NCC2CCCCO2)CCCN1.
What is the InChIKey of 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is XSSKBZWQHDBDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-13(7-5-8-15-13)12(16)14-10-11-6-3-4-9-17-11/h11,15H,2-10H2,1H3,(H,14,16).
What are the key properties of 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83072536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).