3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C14H17N3O3 — CID 79181075

IUPAC3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCC1C(=O)N(Cc2ccc(C(N)=O)cc2N)C(=O)C1C
InChIInChI=1S/C14H17N3O3/c1-7-8(2)14(20)17(13(7)19)6-10-4-3-9(12(16)18)5-11(10)15/h3-5,7-8H,6,15H2,1-2H3,(H2,16,18)
InChIKeyJCNZSOMWWSDCOX-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide

3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 79181075) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID79181075
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCC1C(=O)N(Cc2ccc(C(N)=O)cc2N)C(=O)C1C
InChIInChI=1S/C14H17N3O3/c1-7-8(2)14(20)17(13(7)19)6-10-4-3-9(12(16)18)5-11(10)15/h3-5,7-8H,6,15H2,1-2H3,(H2,16,18)
InChIKeyJCNZSOMWWSDCOX-UHFFFAOYSA-N
XLogP0.51
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 43376136
1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181701
3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
CID 63103190
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 43376184
3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553
3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide
CID 62089139
3-amino-4-[(3-methylsulfonylthiomorpholin-4-yl)methyl]benzamide
CID 66382955
3-amino-4-(methylsulfinylmethyl)benzamide
CID 61289265
3-amino-4-(tert-butylsulfonylmethyl)benzamide
CID 43382306
3-amino-4-[(2-ethylazepan-1-yl)methyl]benzamide
CID 104689056

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 79181075) is 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide is CC1C(=O)N(Cc2ccc(C(N)=O)cc2N)C(=O)C1C.
What is the InChIKey of 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is JCNZSOMWWSDCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-7-8(2)14(20)17(13(7)19)6-10-4-3-9(12(16)18)5-11(10)15/h3-5,7-8H,6,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 79181075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).