1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 168695656

IUPAC1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1OCC(C)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C16H22N2O3/c1-10-5-4-6-11(2)15(10)21-9-12(3)18-8-13(16(17)20)7-14(18)19/h4-6,12-13H,7-9H2,1-3H3,(H2,17,20)
InChIKeyDFVLYGCCJPCAJN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.40
Rot. Bonds5

About 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide

1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168695656) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168695656
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1OCC(C)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C16H22N2O3/c1-10-5-4-6-11(2)15(10)21-9-12(3)18-8-13(16(17)20)7-14(18)19/h4-6,12-13H,7-9H2,1-3H3,(H2,17,20)
InChIKeyDFVLYGCCJPCAJN-UHFFFAOYSA-N
XLogP1.40
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide 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 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 168695656) is 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(C)c1OCC(C)N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DFVLYGCCJPCAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-5-4-6-11(2)15(10)21-9-12(3)18-8-13(16(17)20)7-14(18)19/h4-6,12-13H,7-9H2,1-3H3,(H2,17,20).
What are the key properties of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168695656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).