2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C21H25N3O4 — CID 17436801

IUPAC2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)CN2C(=O)C3CCCCC3C2=O)ccc1N1CCCC1=O
InChIInChI=1S/C21H25N3O4/c1-13-11-14(8-9-17(13)23-10-4-7-19(23)26)22-18(25)12-24-20(27)15-5-2-3-6-16(15)21(24)28/h8-9,11,15-16H,2-7,10,12H2,1H3,(H,22,25)
InChIKeyFWNJYJFYQJBQIU-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.24
Rot. Bonds4

About 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 17436801) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID17436801
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)CN2C(=O)C3CCCCC3C2=O)ccc1N1CCCC1=O
InChIInChI=1S/C21H25N3O4/c1-13-11-14(8-9-17(13)23-10-4-7-19(23)26)22-18(25)12-24-20(27)15-5-2-3-6-16(15)21(24)28/h8-9,11,15-16H,2-7,10,12H2,1H3,(H,22,25)
InChIKeyFWNJYJFYQJBQIU-UHFFFAOYSA-N
XLogP2.24
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 2666329
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 2666301
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 17453590

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 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) is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1cc(NC(=O)CN2C(=O)C3CCCCC3C2=O)ccc1N1CCCC1=O.
What is the InChIKey of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is FWNJYJFYQJBQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-13-11-14(8-9-17(13)23-10-4-7-19(23)26)22-18(25)12-24-20(27)15-5-2-3-6-16(15)21(24)28/h8-9,11,15-16H,2-7,10,12H2,1H3,(H,22,25).
What are the key properties of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 17436801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).