2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide

C14H20N4O2 — CID 61440357

IUPAC2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
SMILESCN(CC(=O)N1CCCC1)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H20N4O2/c1-17(9-13(19)18-6-2-3-7-18)10-4-5-12(15)11(8-10)14(16)20/h4-5,8H,2-3,6-7,9,15H2,1H3,(H2,16,20)
InChIKeyMGZKEXFNGUDTQK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.43
Rot. Bonds4

About 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide

2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide (PubChem CID 61440357) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
PubChem CID61440357
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
SMILESCN(CC(=O)N1CCCC1)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H20N4O2/c1-17(9-13(19)18-6-2-3-7-18)10-4-5-12(15)11(8-10)14(16)20/h4-5,8H,2-3,6-7,9,15H2,1H3,(H2,16,20)
InChIKeyMGZKEXFNGUDTQK-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-fluoro-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzenecarbothioamide
CID 115368032
3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61438484
1-(azepan-1-yl)-2-(3,4-difluoro-N-methylanilino)ethanone
CID 60572912
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 62969965
2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 55139193
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55025728
2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
2-amino-5-[cyclopentyl(methyl)amino]benzamide
CID 61307306
2-amino-5-[methyl(pentan-3-yl)amino]benzamide
CID 55134579

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide?
The IUPAC name of 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide (CID 61440357) is 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide?
The canonical SMILES for 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide is CN(CC(=O)N1CCCC1)c1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide?
The InChIKey is MGZKEXFNGUDTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17(9-13(19)18-6-2-3-7-18)10-4-5-12(15)11(8-10)14(16)20/h4-5,8H,2-3,6-7,9,15H2,1H3,(H2,16,20).
What are the key properties of 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide?
2-amino-5-[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 2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide is sourced from PubChem (CID 61440357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).