N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide

C19H28N2O3 — CID 50977075

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccc(OCCN(C)C(=O)CCCN2CCCC2=O)c(C)c1
InChIInChI=1S/C19H28N2O3/c1-15-8-9-17(16(2)14-15)24-13-12-20(3)18(22)6-4-10-21-11-5-7-19(21)23/h8-9,14H,4-7,10-13H2,1-3H3
InChIKeyYZLMBNSRFLQRMO-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.54
Rot. Bonds8

About N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide

N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 50977075) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID50977075
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccc(OCCN(C)C(=O)CCCN2CCCC2=O)c(C)c1
InChIInChI=1S/C19H28N2O3/c1-15-8-9-17(16(2)14-15)24-13-12-20(3)18(22)6-4-10-21-11-5-7-19(21)23/h8-9,14H,4-7,10-13H2,1-3H3
InChIKeyYZLMBNSRFLQRMO-UHFFFAOYSA-N
XLogP2.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide 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-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide (CID 50977075) is N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1ccc(OCCN(C)C(=O)CCCN2CCCC2=O)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is YZLMBNSRFLQRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-8-9-17(16(2)14-15)24-13-12-20(3)18(22)6-4-10-21-11-5-7-19(21)23/h8-9,14H,4-7,10-13H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 332.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 50977075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).