N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide

C22H24N2O3 — CID 30100120

IUPACN-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-16(2)23(14-17-6-4-3-5-7-17)22(27)19-10-8-18(9-11-19)15-24-20(25)12-13-21(24)26/h3-11,16H,12-15H2,1-2H3
InChIKeyMUTJVQLYMSMOEE-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.39
Rot. Bonds6

About N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide

N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 30100120) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID30100120
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC NameN-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-16(2)23(14-17-6-4-3-5-7-17)22(27)19-10-8-18(9-11-19)15-24-20(25)12-13-21(24)26/h3-11,16H,12-15H2,1-2H3
InChIKeyMUTJVQLYMSMOEE-UHFFFAOYSA-N
XLogP3.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 55379698
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 86898588
N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109046122
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483
N-[(1-benzylpyrrol-2-yl)methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 3915866
N-benzyl-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-propan-2-ylbenzamide
CID 26824275
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide
CID 39080326
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide (CID 30100120) is N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is MUTJVQLYMSMOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16(2)23(14-17-6-4-3-5-7-17)22(27)19-10-8-18(9-11-19)15-24-20(25)12-13-21(24)26/h3-11,16H,12-15H2,1-2H3.
What are the key properties of N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide?
N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 364.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 30100120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).