4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide

C15H28N2O2 — CID 143188586

IUPAC4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide
SMILESCCC(C)C1(C(=O)NC[C@H]2CCCN2)CCOCC1
InChIInChI=1S/C15H28N2O2/c1-3-12(2)15(6-9-19-10-7-15)14(18)17-11-13-5-4-8-16-13/h12-13,16H,3-11H2,1-2H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyJVFOKOQOKHUPRX-ZGTCLIOFSA-N
MW268.40 g/mol
LogP1.70
Rot. Bonds5

About 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide

4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide (PubChem CID 143188586) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide
PubChem CID143188586
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide
SMILESCCC(C)C1(C(=O)NC[C@H]2CCCN2)CCOCC1
InChIInChI=1S/C15H28N2O2/c1-3-12(2)15(6-9-19-10-7-15)14(18)17-11-13-5-4-8-16-13/h12-13,16H,3-11H2,1-2H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyJVFOKOQOKHUPRX-ZGTCLIOFSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide (CID 143188586) is 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide is CCC(C)C1(C(=O)NC[C@H]2CCCN2)CCOCC1.
What is the InChIKey of 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide?
The InChIKey is JVFOKOQOKHUPRX-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-12(2)15(6-9-19-10-7-15)14(18)17-11-13-5-4-8-16-13/h12-13,16H,3-11H2,1-2H3,(H,17,18)/t12?,13-/m1/s1.
What are the key properties of 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide?
4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 143188586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).