3-amino-2-[bis(2-methylpropyl)amino]benzamide

C15H25N3O — CID 112578297

IUPAC3-amino-2-[bis(2-methylpropyl)amino]benzamide
SMILESCC(C)CN(CC(C)C)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H25N3O/c1-10(2)8-18(9-11(3)4)14-12(15(17)19)6-5-7-13(14)16/h5-7,10-11H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyJBCHZYKGFHTDBC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.49
Rot. Bonds6

About 3-amino-2-[bis(2-methylpropyl)amino]benzamide

3-amino-2-[bis(2-methylpropyl)amino]benzamide (PubChem CID 112578297) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-2-[bis(2-methylpropyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[bis(2-methylpropyl)amino]benzamide
PubChem CID112578297
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-amino-2-[bis(2-methylpropyl)amino]benzamide
SMILESCC(C)CN(CC(C)C)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H25N3O/c1-10(2)8-18(9-11(3)4)14-12(15(17)19)6-5-7-13(14)16/h5-7,10-11H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyJBCHZYKGFHTDBC-UHFFFAOYSA-N
XLogP2.49
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
CID 112578601
3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
CID 112578295
3-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]benzamide
CID 112578538
3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide
CID 154376179
3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
CID 115934555
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
CID 112578972
3-amino-2-(N-ethylanilino)benzamide
CID 112577869
3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 112578354
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
CID 115934610
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 115934270
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide
CID 115934261

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[bis(2-methylpropyl)amino]benzamide?
The IUPAC name of 3-amino-2-[bis(2-methylpropyl)amino]benzamide (CID 112578297) is 3-amino-2-[bis(2-methylpropyl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[bis(2-methylpropyl)amino]benzamide?
The canonical SMILES for 3-amino-2-[bis(2-methylpropyl)amino]benzamide is CC(C)CN(CC(C)C)c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[bis(2-methylpropyl)amino]benzamide?
The InChIKey is JBCHZYKGFHTDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)8-18(9-11(3)4)14-12(15(17)19)6-5-7-13(14)16/h5-7,10-11H,8-9,16H2,1-4H3,(H2,17,19).
What are the key properties of 3-amino-2-[bis(2-methylpropyl)amino]benzamide?
3-amino-2-[bis(2-methylpropyl)amino]benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[bis(2-methylpropyl)amino]benzamide is sourced from PubChem (CID 112578297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).