3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide

C13H17N3O2 — CID 63103190

IUPAC3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC1CC(=O)N(Cc2ccc(C(N)=O)cc2N)C1
InChIInChI=1S/C13H17N3O2/c1-8-4-12(17)16(6-8)7-10-3-2-9(13(15)18)5-11(10)14/h2-3,5,8H,4,6-7,14H2,1H3,(H2,15,18)
InChIKeyKLDOBFXDVMRZHE-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.74
Rot. Bonds3

About 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide

3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 63103190) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID63103190
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC1CC(=O)N(Cc2ccc(C(N)=O)cc2N)C1
InChIInChI=1S/C13H17N3O2/c1-8-4-12(17)16(6-8)7-10-3-2-9(13(15)18)5-11(10)14/h2-3,5,8H,4,6-7,14H2,1H3,(H2,15,18)
InChIKeyKLDOBFXDVMRZHE-UHFFFAOYSA-N
XLogP0.74
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 79181075
3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 43376136
3-amino-4-ethylbenzamide
CID 19977641
4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 63581482
methyl 3-bromo-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzoate
CID 102766202
3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 43376184
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553
4-fluoro-2-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 64765430
4-[[3-hydroxy-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]piperidine-1-carboxylic acid
CID 118454610
1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
CID 63101118
3-amino-4-[(3,5-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 82165851
3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide
CID 64731168

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide (CID 63103190) is 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide is CC1CC(=O)N(Cc2ccc(C(N)=O)cc2N)C1.
What is the InChIKey of 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is KLDOBFXDVMRZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-4-12(17)16(6-8)7-10-3-2-9(13(15)18)5-11(10)14/h2-3,5,8H,4,6-7,14H2,1H3,(H2,15,18).
What are the key properties of 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide?
3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 63103190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).