2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide

C24H30N2O4 — CID 55901922

IUPAC2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
SMILESCCC(NC(=O)COc1ccccc1C)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C24H30N2O4/c1-3-20(25-23(27)16-29-21-12-6-4-10-18(21)2)19-11-5-7-13-22(19)30-17-24(28)26-14-8-9-15-26/h4-7,10-13,20H,3,8-9,14-17H2,1-2H3,(H,25,27)
InChIKeyNIYFQFNPFXSCBS-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.64
Rot. Bonds9

About 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide

2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide (PubChem CID 55901922) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
PubChem CID55901922
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
SMILESCCC(NC(=O)COc1ccccc1C)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C24H30N2O4/c1-3-20(25-23(27)16-29-21-12-6-4-10-18(21)2)19-11-5-7-13-22(19)30-17-24(28)26-14-8-9-15-26/h4-7,10-13,20H,3,8-9,14-17H2,1-2H3,(H,25,27)
InChIKeyNIYFQFNPFXSCBS-UHFFFAOYSA-N
XLogP3.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
CID 55958604
2-(oxolan-2-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 51121409
3-(4-methylphenyl)sulfonyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55901152
3-(4-fluorophenyl)sulfanyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55902042
2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
CID 119288275
3,4-dichloro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 60534577
2,4-difluoro-N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]benzamide
CID 55958988
4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902810
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901660
3-methyl-4-nitro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902300
N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55902181

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide (CID 55901922) is 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide is CCC(NC(=O)COc1ccccc1C)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide?
The InChIKey is NIYFQFNPFXSCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-20(25-23(27)16-29-21-12-6-4-10-18(21)2)19-11-5-7-13-22(19)30-17-24(28)26-14-8-9-15-26/h4-7,10-13,20H,3,8-9,14-17H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide?
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide has a molecular weight of 410.51 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide is sourced from PubChem (CID 55901922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).