[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate

C18H24N2O4 — CID 7686604

IUPAC[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
SMILESCc1cc(NC(=O)COC(=O)C(C)(C)C)ccc1N1CCCC1=O
InChIInChI=1S/C18H24N2O4/c1-12-10-13(7-8-14(12)20-9-5-6-16(20)22)19-15(21)11-24-17(23)18(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,21)
InChIKeyOHSIDHYEOBTJMV-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.65
Rot. Bonds4

About [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate

[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate (PubChem CID 7686604) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
PubChem CID7686604
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
SMILESCc1cc(NC(=O)COC(=O)C(C)(C)C)ccc1N1CCCC1=O
InChIInChI=1S/C18H24N2O4/c1-12-10-13(7-8-14(12)20-9-5-6-16(20)22)19-15(21)11-24-17(23)18(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,21)
InChIKeyOHSIDHYEOBTJMV-UHFFFAOYSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7687437
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7687436
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 7687442
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17436801

Frequently Asked Questions

What is the IUPAC name of [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate (CID 7686604) is [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate is Cc1cc(NC(=O)COC(=O)C(C)(C)C)ccc1N1CCCC1=O.
What is the InChIKey of [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate?
The InChIKey is OHSIDHYEOBTJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-10-13(7-8-14(12)20-9-5-6-16(20)22)19-15(21)11-24-17(23)18(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,21).
What are the key properties of [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate?
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate has a molecular weight of 332.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 7686604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).