3,5-diamino-N-propylbenzamide

C10H15N3O — CID 20701636

IUPAC3,5-diamino-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C10H15N3O/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3,11-12H2,1H3,(H,13,14)
InChIKeyAXZCDQABEPTGHI-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.99
Rot. Bonds3

About 3,5-diamino-N-propylbenzamide

3,5-diamino-N-propylbenzamide (PubChem CID 20701636) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3,5-diamino-N-propylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-propylbenzamide
PubChem CID20701636
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3,5-diamino-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C10H15N3O/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3,11-12H2,1H3,(H,13,14)
InChIKeyAXZCDQABEPTGHI-UHFFFAOYSA-N
XLogP0.99
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-propylbenzamide 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-hexadecylbenzamide
CID 54469516
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
3,5-dichloro-N-propylbenzamide
CID 2767298
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide
CID 171662867
5-acetyl-3-N-propylbenzene-1,3-dicarboxamide
CID 126540698
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-5-bromo-N-(3-propoxypropyl)benzamide
CID 82949916
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-propylbenzamide?
The IUPAC name of 3,5-diamino-N-propylbenzamide (CID 20701636) is 3,5-diamino-N-propylbenzamide.
What is the SMILES notation for 3,5-diamino-N-propylbenzamide?
The canonical SMILES for 3,5-diamino-N-propylbenzamide is CCCNC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-propylbenzamide?
The InChIKey is AXZCDQABEPTGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3,11-12H2,1H3,(H,13,14).
What are the key properties of 3,5-diamino-N-propylbenzamide?
3,5-diamino-N-propylbenzamide has a molecular weight of 193.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-propylbenzamide is sourced from PubChem (CID 20701636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).