[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate

C20H20N2O4 — CID 7686963

IUPAC[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1
InChIInChI=1S/C20H20N2O4/c1-13-9-10-15(12-17(13)22-11-5-8-19(22)24)21-20(25)16-6-3-4-7-18(16)26-14(2)23/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,25)
InChIKeyGTPKJUIIIZFJCK-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.30
Rot. Bonds4

About [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate

[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 7686963) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate
PubChem CID7686963
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1
InChIInChI=1S/C20H20N2O4/c1-13-9-10-15(12-17(13)22-11-5-8-19(22)24)21-20(25)16-6-3-4-7-18(16)26-14(2)23/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,25)
InChIKeyGTPKJUIIIZFJCK-UHFFFAOYSA-N
XLogP3.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate
CID 7687744
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400
5-chloro-2-methoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686947
3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686978
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686997
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686588
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
5-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
CID 29325483
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide
CID 42142736

Frequently Asked Questions

What is the IUPAC name of [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate (CID 7686963) is [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1.
What is the InChIKey of [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is GTPKJUIIIZFJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-9-10-15(12-17(13)22-11-5-8-19(22)24)21-20(25)16-6-3-4-7-18(16)26-14(2)23/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,25).
What are the key properties of [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate?
[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 352.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 7686963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).