N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide

C18H26N2O3 — CID 45224983

IUPACN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
SMILESCC(C)(C)CN1CC(NC(=O)CCOc2ccccc2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-18(2,3)13-20-12-14(11-17(20)22)19-16(21)9-10-23-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,19,21)
InChIKeyCUZQQLFRARICSD-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.22
Rot. Bonds6

About N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide

N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide (PubChem CID 45224983) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
PubChem CID45224983
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
SMILESCC(C)(C)CN1CC(NC(=O)CCOc2ccccc2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-18(2,3)13-20-12-14(11-17(20)22)19-16(21)9-10-23-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,19,21)
InChIKeyCUZQQLFRARICSD-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide (CID 45224983) is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide is CC(C)(C)CN1CC(NC(=O)CCOc2ccccc2)CC1=O.
What is the InChIKey of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide?
The InChIKey is CUZQQLFRARICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)13-20-12-14(11-17(20)22)19-16(21)9-10-23-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide?
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide has a molecular weight of 318.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 45224983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).