3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride

C13H20ClN3O2 — CID 119630742

IUPAC3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCNC(=O)c1cccc(C(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-13(2,14)8-16-12(18)10-6-4-5-9(7-10)11(17)15-3;/h4-7H,8,14H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeyMIPMZOFQSUNLPU-UHFFFAOYSA-N
MW285.78 g/mol
LogP0.94
Rot. Bonds4

About 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride

3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119630742) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
PubChem CID119630742
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCNC(=O)c1cccc(C(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-13(2,14)8-16-12(18)10-6-4-5-9(7-10)11(17)15-3;/h4-7H,8,14H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeyMIPMZOFQSUNLPU-UHFFFAOYSA-N
XLogP0.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-carbamothioyl-N-(2,2-dimethylpropyl)benzamide
CID 61167657
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride (CID 119630742) is 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride is CNC(=O)c1cccc(C(=O)NCC(C)(C)N)c1.Cl.
What is the InChIKey of 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is MIPMZOFQSUNLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-13(2,14)8-16-12(18)10-6-4-5-9(7-10)11(17)15-3;/h4-7H,8,14H2,1-3H3,(H,15,17)(H,16,18);1H.
What are the key properties of 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride?
3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119630742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).