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

C15H28N2O2 — CID 143188550

IUPAC4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
SMILESCCCC1(C(=O)NCCN2CCCC2)CCOCC1
InChIInChI=1S/C15H28N2O2/c1-2-5-15(6-12-19-13-7-15)14(18)16-8-11-17-9-3-4-10-17/h2-13H2,1H3,(H,16,18)
InChIKeyRRBRIDJTFGKCNE-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.80
Rot. Bonds6

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

4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide (PubChem CID 143188550) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
PubChem CID143188550
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
SMILESCCCC1(C(=O)NCCN2CCCC2)CCOCC1
InChIInChI=1S/C15H28N2O2/c1-2-5-15(6-12-19-13-7-15)14(18)16-8-11-17-9-3-4-10-17/h2-13H2,1H3,(H,16,18)
InChIKeyRRBRIDJTFGKCNE-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide?
The IUPAC name of 4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide (CID 143188550) is 4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide is CCCC1(C(=O)NCCN2CCCC2)CCOCC1.
What is the InChIKey of 4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide?
The InChIKey is RRBRIDJTFGKCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-5-15(6-12-19-13-7-15)14(18)16-8-11-17-9-3-4-10-17/h2-13H2,1H3,(H,16,18).
What are the key properties of 4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide?
4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 143188550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).