3-amino-4-(2,2-dimethylpropylamino)benzamide

C12H19N3O — CID 61166870

IUPAC3-amino-4-(2,2-dimethylpropylamino)benzamide
SMILESCC(C)(C)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H19N3O/c1-12(2,3)7-15-10-5-4-8(11(14)16)6-9(10)13/h4-6,15H,7,13H2,1-3H3,(H2,14,16)
InChIKeyCNECJJGHFMZVGE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds3

About 3-amino-4-(2,2-dimethylpropylamino)benzamide

3-amino-4-(2,2-dimethylpropylamino)benzamide (PubChem CID 61166870) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-4-(2,2-dimethylpropylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(2,2-dimethylpropylamino)benzamide
PubChem CID61166870
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-4-(2,2-dimethylpropylamino)benzamide
SMILESCC(C)(C)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H19N3O/c1-12(2,3)7-15-10-5-4-8(11(14)16)6-9(10)13/h4-6,15H,7,13H2,1-3H3,(H2,14,16)
InChIKeyCNECJJGHFMZVGE-UHFFFAOYSA-N
XLogP1.83
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
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-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115599
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]benzoic acid
CID 114167694
3-amino-4-(3-ethylpentan-3-ylamino)benzamide
CID 65039779
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416
3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
CID 65108096

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,2-dimethylpropylamino)benzamide?
The IUPAC name of 3-amino-4-(2,2-dimethylpropylamino)benzamide (CID 61166870) is 3-amino-4-(2,2-dimethylpropylamino)benzamide.
What is the SMILES notation for 3-amino-4-(2,2-dimethylpropylamino)benzamide?
The canonical SMILES for 3-amino-4-(2,2-dimethylpropylamino)benzamide is CC(C)(C)CNc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(2,2-dimethylpropylamino)benzamide?
The InChIKey is CNECJJGHFMZVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)7-15-10-5-4-8(11(14)16)6-9(10)13/h4-6,15H,7,13H2,1-3H3,(H2,14,16).
What are the key properties of 3-amino-4-(2,2-dimethylpropylamino)benzamide?
3-amino-4-(2,2-dimethylpropylamino)benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,2-dimethylpropylamino)benzamide is sourced from PubChem (CID 61166870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).