3,5-diamino-N-(3-methylpentan-2-yl)benzamide

C13H21N3O — CID 54950045

IUPAC3,5-diamino-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H21N3O/c1-4-8(2)9(3)16-13(17)10-5-11(14)7-12(15)6-10/h5-9H,4,14-15H2,1-3H3,(H,16,17)
InChIKeyOWPATMYNZOSFEZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.02
Rot. Bonds4

About 3,5-diamino-N-(3-methylpentan-2-yl)benzamide

3,5-diamino-N-(3-methylpentan-2-yl)benzamide (PubChem CID 54950045) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,5-diamino-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(3-methylpentan-2-yl)benzamide
PubChem CID54950045
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3,5-diamino-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H21N3O/c1-4-8(2)9(3)16-13(17)10-5-11(14)7-12(15)6-10/h5-9H,4,14-15H2,1-3H3,(H,16,17)
InChIKeyOWPATMYNZOSFEZ-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 62160554
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 64524870
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
3,5-diamino-N-(2,3-dimethylbutyl)benzamide
CID 64570999
3-chloro-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370239
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate
CID 90694166

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 3,5-diamino-N-(3-methylpentan-2-yl)benzamide (CID 54950045) is 3,5-diamino-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 3,5-diamino-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is OWPATMYNZOSFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-8(2)9(3)16-13(17)10-5-11(14)7-12(15)6-10/h5-9H,4,14-15H2,1-3H3,(H,16,17).
What are the key properties of 3,5-diamino-N-(3-methylpentan-2-yl)benzamide?
3,5-diamino-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.02, 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-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 54950045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).