butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C24H28N2O5 — CID 108788303

IUPACbutyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1
InChIInChI=1S/C24H28N2O5/c1-4-5-12-31-24(29)18-8-6-7-9-19(18)25-23(28)17-14-22(27)26(15-17)20-13-16(2)10-11-21(20)30-3/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,25,28)
InChIKeyIFHAQKMYWMDTLD-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.95
Rot. Bonds8

About butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 108788303) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID108788303
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namebutyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1
InChIInChI=1S/C24H28N2O5/c1-4-5-12-31-24(29)18-8-6-7-9-19(18)25-23(28)17-14-22(27)26(15-17)20-13-16(2)10-11-21(20)30-3/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,25,28)
InChIKeyIFHAQKMYWMDTLD-UHFFFAOYSA-N
XLogP3.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9395534
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55676823
N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151943
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55900330
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-prop-2-enylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 43030785
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
methyl 2,4-difluoro-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 43048586
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 108788303) is butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2cc(C)ccc2OC)C1.
What is the InChIKey of butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is IFHAQKMYWMDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-4-5-12-31-24(29)18-8-6-7-9-19(18)25-23(28)17-14-22(27)26(15-17)20-13-16(2)10-11-21(20)30-3/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,25,28).
What are the key properties of butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 424.50 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 108788303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).