2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H27N3O3 — CID 8805849

IUPAC2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(C)cc1CN(C)CC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H27N3O3/c1-16-6-11-20(28-3)17(13-16)14-24(2)15-21(26)23-18-7-9-19(10-8-18)25-12-4-5-22(25)27/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,23,26)
InChIKeyFPOSZKYESLGVAJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.20
Rot. Bonds7

About 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 8805849) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID8805849
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(C)cc1CN(C)CC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H27N3O3/c1-16-6-11-20(28-3)17(13-16)14-24(2)15-21(26)23-18-7-9-19(10-8-18)25-12-4-5-22(25)27/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,23,26)
InChIKeyFPOSZKYESLGVAJ-UHFFFAOYSA-N
XLogP3.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9469985
methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8805335
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641843
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 40682745
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8805861
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8615045
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
2-[methyl(2-phenoxyethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8754909

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 8805849) is 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is COc1ccc(C)cc1CN(C)CC(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is FPOSZKYESLGVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-6-11-20(28-3)17(13-16)14-24(2)15-21(26)23-18-7-9-19(10-8-18)25-12-4-5-22(25)27/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,23,26).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 8805849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).