2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide

C13H20N4O2 — CID 55139193

IUPAC2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
SMILESCCCNC(=O)CN(C)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-3-6-16-12(18)8-17(2)9-4-5-11(14)10(7-9)13(15)19/h4-5,7H,3,6,8,14H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyZATZDAOPGUCXCL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.33
Rot. Bonds6

About 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide

2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide (PubChem CID 55139193) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
PubChem CID55139193
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
SMILESCCCNC(=O)CN(C)c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-3-6-16-12(18)8-17(2)9-4-5-11(14)10(7-9)13(15)19/h4-5,7H,3,6,8,14H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyZATZDAOPGUCXCL-UHFFFAOYSA-N
XLogP0.33
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
CID 62135454
5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 107194778
2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61440357
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
2-amino-5-[methyl(pentan-3-yl)amino]benzamide
CID 55134579
2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 79173345
2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 104528615
2-(4-carbamothioyl-3-fluoro-N-methylanilino)-N-ethylacetamide
CID 113295860
2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide
CID 83131702
2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide
CID 81214504
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N-propylacetamide
CID 61452628

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The IUPAC name of 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide (CID 55139193) is 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide.
What is the SMILES notation for 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The canonical SMILES for 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide is CCCNC(=O)CN(C)c1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The InChIKey is ZATZDAOPGUCXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-6-16-12(18)8-17(2)9-4-5-11(14)10(7-9)13(15)19/h4-5,7H,3,6,8,14H2,1-2H3,(H2,15,19)(H,16,18).
What are the key properties of 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide?
2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide is sourced from PubChem (CID 55139193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).