3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide

C16H28N2O3 — CID 91075158

IUPAC3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide
SMILESCCC(C)(C)CC(=O)NC1C(=O)COC1CN1CCCC1
InChIInChI=1S/C16H28N2O3/c1-4-16(2,3)9-14(20)17-15-12(19)11-21-13(15)10-18-7-5-6-8-18/h13,15H,4-11H2,1-3H3,(H,17,20)
InChIKeyKGLGANPNSNVBCW-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.36
Rot. Bonds6

About 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide

3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide (PubChem CID 91075158) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide
PubChem CID91075158
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide
SMILESCCC(C)(C)CC(=O)NC1C(=O)COC1CN1CCCC1
InChIInChI=1S/C16H28N2O3/c1-4-16(2,3)9-14(20)17-15-12(19)11-21-13(15)10-18-7-5-6-8-18/h13,15H,4-11H2,1-3H3,(H,17,20)
InChIKeyKGLGANPNSNVBCW-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide?
The IUPAC name of 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide (CID 91075158) is 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide is CCC(C)(C)CC(=O)NC1C(=O)COC1CN1CCCC1.
What is the InChIKey of 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide?
The InChIKey is KGLGANPNSNVBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-16(2,3)9-14(20)17-15-12(19)11-21-13(15)10-18-7-5-6-8-18/h13,15H,4-11H2,1-3H3,(H,17,20).
What are the key properties of 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide?
3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide has a molecular weight of 296.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]pentanamide is sourced from PubChem (CID 91075158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).