3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

C13H20N4O2 — CID 61115445

IUPAC3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H20N4O2/c1-3-4-16-12(18)8-17(2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3,(H,16,18)
InChIKeyNROPFOBDYAINTB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.45
Rot. Bonds5

About 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 61115445) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID61115445
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H20N4O2/c1-3-4-16-12(18)8-17(2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3,(H,16,18)
InChIKeyNROPFOBDYAINTB-UHFFFAOYSA-N
XLogP0.45
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 61113939
4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 47097429
3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61094798
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
3-hydroxy-4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104627430
3,5-diamino-N-propylbenzamide
CID 20701636
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7780191
3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107585

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 61115445) is 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CN(C)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is NROPFOBDYAINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-4-16-12(18)8-17(2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3,(H,16,18).
What are the key properties of 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 61115445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).