methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate

C24H26N2O6 — CID 23860694

IUPACmethyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESCCC(C)N(C(=O)c1cccc(OC)c1)C1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O
InChIInChI=1S/C24H26N2O6/c1-5-15(2)25(22(28)17-7-6-8-19(13-17)31-3)20-14-21(27)26(23(20)29)18-11-9-16(10-12-18)24(30)32-4/h6-13,15,20H,5,14H2,1-4H3
InChIKeyKFVFXKVFHMMCRB-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.05
Rot. Bonds7

About methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate

methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate (PubChem CID 23860694) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
PubChem CID23860694
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Namemethyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESCCC(C)N(C(=O)c1cccc(OC)c1)C1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O
InChIInChI=1S/C24H26N2O6/c1-5-15(2)25(22(28)17-7-6-8-19(13-17)31-3)20-14-21(27)26(23(20)29)18-11-9-16(10-12-18)24(30)32-4/h6-13,15,20H,5,14H2,1-4H3
InChIKeyKFVFXKVFHMMCRB-UHFFFAOYSA-N
XLogP3.05
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxybenzamide
CID 23745207
methyl 4-[3-[(3-methoxybenzoyl)-prop-2-enylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23832241
N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide
CID 23888636
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide
CID 23888447
N-butan-2-yl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 23774559
N-butan-2-yl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23745308
N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 25038531
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
CID 23860685
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
N-butan-2-yl-4-chloro-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23803417
N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23944632
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 23745204

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate (CID 23860694) is methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate is CCC(C)N(C(=O)c1cccc(OC)c1)C1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O.
What is the InChIKey of methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate?
The InChIKey is KFVFXKVFHMMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-5-15(2)25(22(28)17-7-6-8-19(13-17)31-3)20-14-21(27)26(23(20)29)18-11-9-16(10-12-18)24(30)32-4/h6-13,15,20H,5,14H2,1-4H3.
What are the key properties of methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate?
methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate has a molecular weight of 438.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[butan-2-yl-(3-methoxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 23860694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).