N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride

C17H31Cl2N3O2 — CID 119653975

IUPACN-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
SMILESCN(C)CCOc1ccccc1C(=O)N(C)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-17(2,12-18)13-20(5)16(21)14-8-6-7-9-15(14)22-11-10-19(3)4;;/h6-9H,10-13,18H2,1-5H3;2*1H
InChIKeyLNONMQZJEUKHLL-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.53
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride (PubChem CID 119653975) has the molecular formula C17H31Cl2N3O2 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
PubChem CID119653975
Molecular FormulaC17H31Cl2N3O2
Molecular Weight380.36 g/mol
Exact Mass379.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
SMILESCN(C)CCOc1ccccc1C(=O)N(C)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-17(2,12-18)13-20(5)16(21)14-8-6-7-9-15(14)22-11-10-19(3)4;;/h6-9H,10-13,18H2,1-5H3;2*1H
InChIKeyLNONMQZJEUKHLL-UHFFFAOYSA-N
XLogP2.53
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;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-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 119652632
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide
CID 119652893
N-(3,3-dimethylbutyl)-2-(2-fluoroethoxy)-N-methylbenzamide
CID 166311380
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride
CID 119655500
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide
CID 119655514
N-(3-amino-2,2-dimethylpropyl)-4-(2-chlorophenoxy)-N-methylbutanamide
CID 119657041
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride
CID 119653488

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride (CID 119653975) is N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride is CN(C)CCOc1ccccc1C(=O)N(C)CC(C)(C)CN.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride?
The InChIKey is LNONMQZJEUKHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.2ClH/c1-17(2,12-18)13-20(5)16(21)14-8-6-7-9-15(14)22-11-10-19(3)4;;/h6-9H,10-13,18H2,1-5H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride has a molecular weight of 380.36 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride is sourced from PubChem (CID 119653975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).