N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

C25H31N3O5 — CID 55330592

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1
InChIInChI=1S/C25H31N3O5/c1-5-12-27(16-23(29)26-19-8-6-7-9-21(19)32-3)25(31)18-14-24(30)28(15-18)20-13-17(2)10-11-22(20)33-4/h6-11,13,18H,5,12,14-16H2,1-4H3,(H,26,29)
InChIKeyCPXSXXXCVYRCNT-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.24
Rot. Bonds9

About N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 55330592) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID55330592
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1
InChIInChI=1S/C25H31N3O5/c1-5-12-27(16-23(29)26-19-8-6-7-9-21(19)32-3)25(31)18-14-24(30)28(15-18)20-13-17(2)10-11-22(20)33-4/h6-11,13,18H,5,12,14-16H2,1-4H3,(H,26,29)
InChIKeyCPXSXXXCVYRCNT-UHFFFAOYSA-N
XLogP3.24
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55330530
(3R)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 40974799
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
1-(2-methoxy-5-methylphenyl)-5-oxo-N,N-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 56530400
1-(2-fluorophenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 46554924
(3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8850517
butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108788303
3-(2,5-dimethylphenoxy)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpropanamide
CID 7936258
2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8786909
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7263899
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 55330592) is N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is CPXSXXXCVYRCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-5-12-27(16-23(29)26-19-8-6-7-9-21(19)32-3)25(31)18-14-24(30)28(15-18)20-13-17(2)10-11-22(20)33-4/h6-11,13,18H,5,12,14-16H2,1-4H3,(H,26,29).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55330592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).