3,5-diamino-N-(2,3-dimethylbutyl)benzamide

C13H21N3O — CID 64570999

IUPAC3,5-diamino-N-(2,3-dimethylbutyl)benzamide
SMILESCC(C)C(C)CNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H21N3O/c1-8(2)9(3)7-16-13(17)10-4-11(14)6-12(15)5-10/h4-6,8-9H,7,14-15H2,1-3H3,(H,16,17)
InChIKeyCPPDOMTYQFVSRJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds4

About 3,5-diamino-N-(2,3-dimethylbutyl)benzamide

3,5-diamino-N-(2,3-dimethylbutyl)benzamide (PubChem CID 64570999) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,5-diamino-N-(2,3-dimethylbutyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(2,3-dimethylbutyl)benzamide
PubChem CID64570999
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3,5-diamino-N-(2,3-dimethylbutyl)benzamide
SMILESCC(C)C(C)CNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H21N3O/c1-8(2)9(3)7-16-13(17)10-4-11(14)6-12(15)5-10/h4-6,8-9H,7,14-15H2,1-3H3,(H,16,17)
InChIKeyCPPDOMTYQFVSRJ-UHFFFAOYSA-N
XLogP1.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
CID 64568397
5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103296542
3,5-diamino-N-propylbenzamide
CID 20701636
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
CID 64568794
3,5-diamino-N-(3-methylpentan-2-yl)benzamide
CID 54950045
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide
CID 64581359
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2,3-dimethylbutyl)benzamide?
The IUPAC name of 3,5-diamino-N-(2,3-dimethylbutyl)benzamide (CID 64570999) is 3,5-diamino-N-(2,3-dimethylbutyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(2,3-dimethylbutyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(2,3-dimethylbutyl)benzamide is CC(C)C(C)CNC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(2,3-dimethylbutyl)benzamide?
The InChIKey is CPPDOMTYQFVSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)9(3)7-16-13(17)10-4-11(14)6-12(15)5-10/h4-6,8-9H,7,14-15H2,1-3H3,(H,16,17).
What are the key properties of 3,5-diamino-N-(2,3-dimethylbutyl)benzamide?
3,5-diamino-N-(2,3-dimethylbutyl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(2,3-dimethylbutyl)benzamide is sourced from PubChem (CID 64570999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).