[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate

C23H24N2O4 — CID 17475320

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCC1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C23H24N2O4/c26-20(24-18-10-4-5-11-19(18)25-15-6-12-21(25)27)16-29-22(28)23(13-7-14-23)17-8-2-1-3-9-17/h1-5,8-11H,6-7,12-16H2,(H,24,26)
InChIKeyCWWMKQVVCVKDPJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.42
Rot. Bonds6

About [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate (PubChem CID 17475320) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate
PubChem CID17475320
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCC1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C23H24N2O4/c26-20(24-18-10-4-5-11-19(18)25-15-6-12-21(25)27)16-29-22(28)23(13-7-14-23)17-8-2-1-3-9-17/h1-5,8-11H,6-7,12-16H2,(H,24,26)
InChIKeyCWWMKQVVCVKDPJ-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
2-(2-aminoethoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79473885
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
2-(2-formylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41201936
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
CID 55467953
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55465845
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611135
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-ethylphenoxy)acetate
CID 55468169
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 46669929
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8559290

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate (CID 17475320) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CCC1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate?
The InChIKey is CWWMKQVVCVKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-20(24-18-10-4-5-11-19(18)25-15-6-12-21(25)27)16-29-22(28)23(13-7-14-23)17-8-2-1-3-9-17/h1-5,8-11H,6-7,12-16H2,(H,24,26).
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 17475320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).