2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide

C12H19N3O2 — CID 115546523

IUPAC2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
SMILESCN(CC(C)(C)O)c1cccc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O2/c1-12(2,17)7-15(3)9-6-4-5-8(10(9)13)11(14)16/h4-6,17H,7,13H2,1-3H3,(H2,14,16)
InChIKeyHXBWMEIAASYJLA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.57
Rot. Bonds4

About 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide

2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide (PubChem CID 115546523) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
PubChem CID115546523
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
SMILESCN(CC(C)(C)O)c1cccc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O2/c1-12(2,17)7-15(3)9-6-4-5-8(10(9)13)11(14)16/h4-6,17H,7,13H2,1-3H3,(H2,14,16)
InChIKeyHXBWMEIAASYJLA-UHFFFAOYSA-N
XLogP0.57
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 115546160
1-(2-amino-3-fluoro-N-methylanilino)-2-methylpropan-2-ol
CID 79380492
2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396
2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
CID 115545191
2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
CID 115545560
2-amino-4-fluoro-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 79386344
2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide
CID 115544836
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-nitrobenzoic acid
CID 115542561
2-amino-3-(2-cyano-N-methylanilino)benzamide
CID 115546642
2-[(2-amino-2-oxoethyl)-methylamino]benzamide
CID 68633336
3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 113367038
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide?
The IUPAC name of 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide (CID 115546523) is 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide.
What is the SMILES notation for 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide?
The canonical SMILES for 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide is CN(CC(C)(C)O)c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide?
The InChIKey is HXBWMEIAASYJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,17)7-15(3)9-6-4-5-8(10(9)13)11(14)16/h4-6,17H,7,13H2,1-3H3,(H2,14,16).
What are the key properties of 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide?
2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide has a molecular weight of 237.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide is sourced from PubChem (CID 115546523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).