butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate

C24H27N3O5 — CID 35144060

IUPACbutyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H27N3O5/c1-2-3-15-32-24(31)18-6-10-19(11-7-18)26-21(28)16-25-23(30)17-8-12-20(13-9-17)27-14-4-5-22(27)29/h6-13H,2-5,14-16H2,1H3,(H,25,30)(H,26,28)
InChIKeyGNTBENLRWYYSHO-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.14
Rot. Bonds9

About butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate

butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate (PubChem CID 35144060) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
PubChem CID35144060
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Namebutyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H27N3O5/c1-2-3-15-32-24(31)18-6-10-19(11-7-18)26-21(28)16-25-23(30)17-8-12-20(13-9-17)27-14-4-5-22(27)29/h6-13H,2-5,14-16H2,1H3,(H,25,30)(H,26,28)
InChIKeyGNTBENLRWYYSHO-UHFFFAOYSA-N
XLogP3.14
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38824667
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51218960
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
methyl 2-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoyl]amino]acetate
CID 32622035
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 27717588
methyl 3-[2-[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]ethynyl]benzoate
CID 30712549
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate (CID 35144060) is butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate?
The InChIKey is GNTBENLRWYYSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-2-3-15-32-24(31)18-6-10-19(11-7-18)26-21(28)16-25-23(30)17-8-12-20(13-9-17)27-14-4-5-22(27)29/h6-13H,2-5,14-16H2,1H3,(H,25,30)(H,26,28).
What are the key properties of butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate?
butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate has a molecular weight of 437.50 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 35144060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).