3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide

C13H22N4O2 — CID 106141828

IUPAC3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
SMILESCN(C)CC(C)(O)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H22N4O2/c1-13(19,8-17(2)3)7-16-11-5-4-9(12(15)18)6-10(11)14/h4-6,16,19H,7-8,14H2,1-3H3,(H2,15,18)
InChIKeyVBQHVAPGRJGSCL-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.09
Rot. Bonds6

About 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide

3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide (PubChem CID 106141828) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
PubChem CID106141828
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC Name3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
SMILESCN(C)CC(C)(O)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H22N4O2/c1-13(19,8-17(2)3)7-16-11-5-4-9(12(15)18)6-10(11)14/h4-6,16,19H,7-8,14H2,1-3H3,(H2,15,18)
InChIKeyVBQHVAPGRJGSCL-UHFFFAOYSA-N
XLogP0.09
TPSA104.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide
CID 106141662
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide
CID 82989320
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
3-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115599
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 82989662
4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide
CID 103839007
3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide?
The IUPAC name of 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide (CID 106141828) is 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide.
What is the SMILES notation for 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide?
The canonical SMILES for 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide is CN(C)CC(C)(O)CNc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide?
The InChIKey is VBQHVAPGRJGSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(19,8-17(2)3)7-16-11-5-4-9(12(15)18)6-10(11)14/h4-6,16,19H,7-8,14H2,1-3H3,(H2,15,18).
What are the key properties of 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide?
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide has a molecular weight of 266.35 g/mol, XLogP of 0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide is sourced from PubChem (CID 106141828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).