5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride

C20H27ClN2O — CID 120636434

IUPAC5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)C(=O)c2cc(N)ccc2C)cc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-14-6-9-16(10-7-14)20(3,4)13-22(5)19(23)18-12-17(21)11-8-15(18)2;/h6-12H,13,21H2,1-5H3;1H
InChIKeyUNNBHDTVZXMYAN-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.36
Rot. Bonds4

About 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride

5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride (PubChem CID 120636434) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
PubChem CID120636434
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)C(=O)c2cc(N)ccc2C)cc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-14-6-9-16(10-7-14)20(3,4)13-22(5)19(23)18-12-17(21)11-8-15(18)2;/h6-12H,13,21H2,1-5H3;1H
InChIKeyUNNBHDTVZXMYAN-UHFFFAOYSA-N
XLogP4.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;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

2-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
CID 119945788
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618559
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120624182
3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119805929
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride?
The IUPAC name of 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride (CID 120636434) is 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride is Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(N)ccc2C)cc1.Cl.
What is the InChIKey of 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride?
The InChIKey is UNNBHDTVZXMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-14-6-9-16(10-7-14)20(3,4)13-22(5)19(23)18-12-17(21)11-8-15(18)2;/h6-12H,13,21H2,1-5H3;1H.
What are the key properties of 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride?
5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120636434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).