N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide

C21H23N3O3 — CID 17470176

IUPACN-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)C2CC(=O)N(c3ccccc3)C2=O)c1C
InChIInChI=1S/C21H23N3O3/c1-14-8-7-11-17(15(14)2)22-19(25)13-23(3)18-12-20(26)24(21(18)27)16-9-5-4-6-10-16/h4-11,18H,12-13H2,1-3H3,(H,22,25)
InChIKeyUMVZTFPCYLWEIQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.51
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide

N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide (PubChem CID 17470176) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide
PubChem CID17470176
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)C2CC(=O)N(c3ccccc3)C2=O)c1C
InChIInChI=1S/C21H23N3O3/c1-14-8-7-11-17(15(14)2)22-19(25)13-23(3)18-12-20(26)24(21(18)27)16-9-5-4-6-10-16/h4-11,18H,12-13H2,1-3H3,(H,22,25)
InChIKeyUMVZTFPCYLWEIQ-UHFFFAOYSA-N
XLogP2.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide (CID 17470176) is N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide is Cc1cccc(NC(=O)CN(C)C2CC(=O)N(c3ccccc3)C2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide?
The InChIKey is UMVZTFPCYLWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-8-7-11-17(15(14)2)22-19(25)13-23(3)18-12-20(26)24(21(18)27)16-9-5-4-6-10-16/h4-11,18H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide is sourced from PubChem (CID 17470176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).