2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide

C22H26N2O3 — CID 55749941

IUPAC2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide
SMILESCc1ccc(OCC(=O)NC(CN2CCCC2=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-16-10-11-20(17(2)13-16)27-15-21(25)23-19(18-7-4-3-5-8-18)14-24-12-6-9-22(24)26/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,23,25)
InChIKeyKZEVRUWSXXQWAU-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.16
Rot. Bonds7

About 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide

2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide (PubChem CID 55749941) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide
PubChem CID55749941
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide
SMILESCc1ccc(OCC(=O)NC(CN2CCCC2=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-16-10-11-20(17(2)13-16)27-15-21(25)23-19(18-7-4-3-5-8-18)14-24-12-6-9-22(24)26/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,23,25)
InChIKeyKZEVRUWSXXQWAU-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide with MolForge

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148647
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 55750077
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461286
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
CID 94821155
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide
CID 96549349
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 99617884
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 126770678

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide (CID 55749941) is 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide is Cc1ccc(OCC(=O)NC(CN2CCCC2=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide?
The InChIKey is KZEVRUWSXXQWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-10-11-20(17(2)13-16)27-15-21(25)23-19(18-7-4-3-5-8-18)14-24-12-6-9-22(24)26/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 55749941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).