3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride

C13H23Cl2N3O — CID 119830617

IUPAC3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-13(2,16(3)4)9-15-12(17)10-6-5-7-11(14)8-10;;/h5-8H,9,14H2,1-4H3,(H,15,17);2*1H
InChIKeyHEPUVWAHTRUQMC-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.18
Rot. Bonds4

About 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride

3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride (PubChem CID 119830617) has the molecular formula C13H23Cl2N3O and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
PubChem CID119830617
Molecular FormulaC13H23Cl2N3O
Molecular Weight308.25 g/mol
Exact Mass307.12
IUPAC Name3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-13(2,16(3)4)9-15-12(17)10-6-5-7-11(14)8-10;;/h5-8H,9,14H2,1-4H3,(H,15,17);2*1H
InChIKeyHEPUVWAHTRUQMC-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.18
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-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119756892
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
tert-butyl 2-[(3-aminobenzoyl)amino]acetate
CID 20745560

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride (CID 119830617) is 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride is CN(C)C(C)(C)CNC(=O)c1cccc(N)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride?
The InChIKey is HEPUVWAHTRUQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.2ClH/c1-13(2,16(3)4)9-15-12(17)10-6-5-7-11(14)8-10;;/h5-8H,9,14H2,1-4H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride?
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride has a molecular weight of 308.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride is sourced from PubChem (CID 119830617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).