[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C23H24N2O5 — CID 7560939

IUPAC[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C23H24N2O5/c1-2-4-21(27)24-18-10-6-16(7-11-18)20(26)15-30-23(29)17-8-12-19(13-9-17)25-14-3-5-22(25)28/h6-13H,2-5,14-15H2,1H3,(H,24,27)
InChIKeyMNUYJNXLMQUWFZ-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.59
Rot. Bonds8

About [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 7560939) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID7560939
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C23H24N2O5/c1-2-4-21(27)24-18-10-6-16(7-11-18)20(26)15-30-23(29)17-8-12-19(13-9-17)25-14-3-5-22(25)28/h6-13H,2-5,14-15H2,1H3,(H,24,27)
InChIKeyMNUYJNXLMQUWFZ-UHFFFAOYSA-N
XLogP3.59
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7953022
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683
butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
CID 35144060
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 27717588
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728314

Frequently Asked Questions

What is the IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 7560939) is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is MNUYJNXLMQUWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-2-4-21(27)24-18-10-6-16(7-11-18)20(26)15-30-23(29)17-8-12-19(13-9-17)25-14-3-5-22(25)28/h6-13H,2-5,14-15H2,1H3,(H,24,27).
What are the key properties of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 408.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7560939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).