1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide

C17H24N2O3 — CID 51081092

IUPAC1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCCOc1c(C)cccc1C
InChIInChI=1S/C17H24N2O3/c1-12-6-4-7-13(2)16(12)22-11-9-18-17(21)15-8-5-10-19(15)14(3)20/h4,6-7,15H,5,8-11H2,1-3H3,(H,18,21)
InChIKeyHDVXTTIZMCVVCR-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.81
Rot. Bonds5

About 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide

1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 51081092) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID51081092
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCCOc1c(C)cccc1C
InChIInChI=1S/C17H24N2O3/c1-12-6-4-7-13(2)16(12)22-11-9-18-17(21)15-8-5-10-19(15)14(3)20/h4,6-7,15H,5,8-11H2,1-3H3,(H,18,21)
InChIKeyHDVXTTIZMCVVCR-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-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-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide (CID 51081092) is 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NCCOc1c(C)cccc1C.
What is the InChIKey of 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is HDVXTTIZMCVVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-6-4-7-13(2)16(12)22-11-9-18-17(21)15-8-5-10-19(15)14(3)20/h4,6-7,15H,5,8-11H2,1-3H3,(H,18,21).
What are the key properties of 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51081092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).