N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride

C17H29ClN2O — CID 119653380

IUPACN-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)(C)C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13-7-9-14(10-8-13)17(4,5)15(20)19(6)12-16(2,3)11-18;/h7-10H,11-12,18H2,1-6H3;1H
InChIKeyOXGHSIVBRORWBI-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.14
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 119653380) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride
PubChem CID119653380
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)(C)C(=O)N(C)CC(C)(C)CN)cc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-13-7-9-14(10-8-13)17(4,5)15(20)19(6)12-16(2,3)11-18;/h7-10H,11-12,18H2,1-6H3;1H
InChIKeyOXGHSIVBRORWBI-UHFFFAOYSA-N
XLogP3.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride 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)-2-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 119654096
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119654882
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119655468
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methyl-2-phenylpropanamide
CID 79668566
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 80555053
N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103021572
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride
CID 119706053
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119652642

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride (CID 119653380) is N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride is Cc1ccc(C(C)(C)C(=O)N(C)CC(C)(C)CN)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is OXGHSIVBRORWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-13-7-9-14(10-8-13)17(4,5)15(20)19(6)12-16(2,3)11-18;/h7-10H,11-12,18H2,1-6H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119653380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).