N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide

C23H27N3O3 — CID 41389974

IUPACN-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1C
InChIInChI=1S/C23H27N3O3/c1-14-8-7-11-18(17(14)4)24-20(27)13-25(5)19-12-21(28)26(23(19)29)22-15(2)9-6-10-16(22)3/h6-11,19H,12-13H2,1-5H3,(H,24,27)/t19-/m0/s1
InChIKeyXVOSRSDMKXZSMD-IBGZPJMESA-N
MW393.49 g/mol
LogP3.12
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide

N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide (PubChem CID 41389974) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
PubChem CID41389974
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1C
InChIInChI=1S/C23H27N3O3/c1-14-8-7-11-18(17(14)4)24-20(27)13-25(5)19-12-21(28)26(23(19)29)22-15(2)9-6-10-16(22)3/h6-11,19H,12-13H2,1-5H3,(H,24,27)/t19-/m0/s1
InChIKeyXVOSRSDMKXZSMD-IBGZPJMESA-N
XLogP3.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-methylamino]acetamide
CID 17470176
N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide
CID 41389517
N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
CID 42887670
N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
CID 42935027
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 24614711
2-[[(3R)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 98398259
1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 662096
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35329527
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide (CID 41389974) is N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide is Cc1cccc(NC(=O)CN(C)[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
The InChIKey is XVOSRSDMKXZSMD-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14-8-7-11-18(17(14)4)24-20(27)13-25(5)19-12-21(28)26(23(19)29)22-15(2)9-6-10-16(22)3/h6-11,19H,12-13H2,1-5H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.12, 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-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide is sourced from PubChem (CID 41389974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).