1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride

C14H22ClN3O2 — CID 119630029

IUPAC1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,15)9-16-12(18)10-5-7-11(8-6-10)13(19)17(3)4;/h5-8H,9,15H2,1-4H3,(H,16,18);1H
InChIKeyZZKCQKJQUGLPMH-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.28
Rot. Bonds4

About 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride

1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride (PubChem CID 119630029) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
PubChem CID119630029
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,15)9-16-12(18)10-5-7-11(8-6-10)13(19)17(3)4;/h5-8H,9,15H2,1-4H3,(H,16,18);1H
InChIKeyZZKCQKJQUGLPMH-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119629402
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119630817
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119629953
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119626861
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
CID 119625808

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride (CID 119630029) is 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride is CN(C)C(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is ZZKCQKJQUGLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-14(2,15)9-16-12(18)10-5-7-11(8-6-10)13(19)17(3)4;/h5-8H,9,15H2,1-4H3,(H,16,18);1H.
What are the key properties of 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride?
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119630029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).