4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide

C13H24N2O2 — CID 70985347

IUPAC4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
SMILESCC1(C(=O)NCCN2CCCC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(4-10-17-11-5-13)12(16)14-6-9-15-7-2-3-8-15/h2-11H2,1H3,(H,14,16)
InChIKeyHRQKFXMMPQMACP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.02
Rot. Bonds4

About 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide

4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide (PubChem CID 70985347) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
PubChem CID70985347
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
SMILESCC1(C(=O)NCCN2CCCC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(4-10-17-11-5-13)12(16)14-6-9-15-7-2-3-8-15/h2-11H2,1H3,(H,14,16)
InChIKeyHRQKFXMMPQMACP-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
CID 120938295
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988
N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63141304
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 110094654
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55034653
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
2-amino-1-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 82763901
4-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 76920259

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide?
The IUPAC name of 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide (CID 70985347) is 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide is CC1(C(=O)NCCN2CCCC2)CCOCC1.
What is the InChIKey of 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide?
The InChIKey is HRQKFXMMPQMACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(4-10-17-11-5-13)12(16)14-6-9-15-7-2-3-8-15/h2-11H2,1H3,(H,14,16).
What are the key properties of 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide?
4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 70985347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).