N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride

C15H27Cl2N3O — CID 119630817

IUPACN-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-5-10-18(4)13-8-6-12(7-9-13)14(19)17-11-15(2,3)16;;/h6-9H,5,10-11,16H2,1-4H3,(H,17,19);2*1H
InChIKeyWJYAPQKRQUGYDH-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.84
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride

N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride (PubChem CID 119630817) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
PubChem CID119630817
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC NameN-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-5-10-18(4)13-8-6-12(7-9-13)14(19)17-11-15(2,3)16;;/h6-9H,5,10-11,16H2,1-4H3,(H,17,19);2*1H
InChIKeyWJYAPQKRQUGYDH-UHFFFAOYSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide
CID 119644057
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119629402
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119629953
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide
CID 110909622
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119629951
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
N-(2-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119628032

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride (CID 119630817) is N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride is CCCN(C)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride?
The InChIKey is WJYAPQKRQUGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-5-10-18(4)13-8-6-12(7-9-13)14(19)17-11-15(2,3)16;;/h6-9H,5,10-11,16H2,1-4H3,(H,17,19);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride is sourced from PubChem (CID 119630817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).