2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C12H22N2O2 — CID 21360973

IUPAC2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C12H22N2O2/c1-12(2,3)11(16)13-7-5-9-14-8-4-6-10(14)15/h4-9H2,1-3H3,(H,13,16)
InChIKeyHDBPEEFFDNPMIL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds4

About 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 21360973) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID21360973
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C12H22N2O2/c1-12(2,3)11(16)13-7-5-9-14-8-4-6-10(14)15/h4-9H2,1-3H3,(H,13,16)
InChIKeyHDBPEEFFDNPMIL-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 21360973) is 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is CC(C)(C)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is HDBPEEFFDNPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)11(16)13-7-5-9-14-8-4-6-10(14)15/h4-9H2,1-3H3,(H,13,16).
What are the key properties of 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 226.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 21360973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).