3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide

C14H20N4O2 — CID 61438484

IUPAC3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
SMILESCN(CC(=O)N1CCCC1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H20N4O2/c1-17(9-13(19)18-6-2-3-7-18)12-5-4-10(14(16)20)8-11(12)15/h4-5,8H,2-3,6-7,9,15H2,1H3,(H2,16,20)
InChIKeyQFDBAKPFSYXQCW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.43
Rot. Bonds4

About 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide

3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide (PubChem CID 61438484) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
PubChem CID61438484
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
SMILESCN(CC(=O)N1CCCC1)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H20N4O2/c1-17(9-13(19)18-6-2-3-7-18)12-5-4-10(14(16)20)8-11(12)15/h4-5,8H,2-3,6-7,9,15H2,1H3,(H2,16,20)
InChIKeyQFDBAKPFSYXQCW-UHFFFAOYSA-N
XLogP0.43
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
CID 61018701
2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61440357
(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate
CID 61323137
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
CID 61415166
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914247
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
4-bromo-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 114901546
3-amino-4-[ethyl(methyl)amino]benzoic acid
CID 60990166
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide?
The IUPAC name of 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide (CID 61438484) is 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide.
What is the SMILES notation for 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide?
The canonical SMILES for 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide is CN(CC(=O)N1CCCC1)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide?
The InChIKey is QFDBAKPFSYXQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17(9-13(19)18-6-2-3-7-18)12-5-4-10(14(16)20)8-11(12)15/h4-5,8H,2-3,6-7,9,15H2,1H3,(H2,16,20).
What are the key properties of 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide?
3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide has a molecular weight of 276.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide is sourced from PubChem (CID 61438484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).