2,4-diamino-N-(3-methylbutyl)benzamide

C12H19N3O — CID 61092536

IUPAC2,4-diamino-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(N)cc1N
InChIInChI=1S/C12H19N3O/c1-8(2)5-6-15-12(16)10-4-3-9(13)7-11(10)14/h3-4,7-8H,5-6,13-14H2,1-2H3,(H,15,16)
InChIKeyPFFNLCFZRSBKNK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.63
Rot. Bonds4

About 2,4-diamino-N-(3-methylbutyl)benzamide

2,4-diamino-N-(3-methylbutyl)benzamide (PubChem CID 61092536) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,4-diamino-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(3-methylbutyl)benzamide
PubChem CID61092536
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,4-diamino-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(N)cc1N
InChIInChI=1S/C12H19N3O/c1-8(2)5-6-15-12(16)10-4-3-9(13)7-11(10)14/h3-4,7-8H,5-6,13-14H2,1-2H3,(H,15,16)
InChIKeyPFFNLCFZRSBKNK-UHFFFAOYSA-N
XLogP1.63
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-diamino-N-(3-methylbutyl)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

2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2,4-diamino-N-hexylbenzamide
CID 61111728
2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031850
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
CID 64927021
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
CID 115739020
3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide
CID 103606420
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
2,4-diamino-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493375

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(3-methylbutyl)benzamide?
The IUPAC name of 2,4-diamino-N-(3-methylbutyl)benzamide (CID 61092536) is 2,4-diamino-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-(3-methylbutyl)benzamide?
The InChIKey is PFFNLCFZRSBKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)5-6-15-12(16)10-4-3-9(13)7-11(10)14/h3-4,7-8H,5-6,13-14H2,1-2H3,(H,15,16).
What are the key properties of 2,4-diamino-N-(3-methylbutyl)benzamide?
2,4-diamino-N-(3-methylbutyl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 61092536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).