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

C13H21ClN2O — CID 119706053

IUPAC3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(N(C)C(=O)C(C)(C)CN)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10-5-7-11(8-6-10)15(4)12(16)13(2,3)9-14;/h5-8H,9,14H2,1-4H3;1H
InChIKeyZGXQZSAAHWQLFP-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.36
Rot. Bonds3

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

3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 119706053) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride
PubChem CID119706053
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(N(C)C(=O)C(C)(C)CN)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10-5-7-11(8-6-10)15(4)12(16)13(2,3)9-14;/h5-8H,9,14H2,1-4H3;1H
InChIKeyZGXQZSAAHWQLFP-UHFFFAOYSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-(4-methylphenyl)acetamide
CID 22617441
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 80555053
3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115154607
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
CID 115154596
4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
CID 115156948
3-tert-butyl-1-methyl-1-(4-methylphenyl)urea
CID 116655410
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-2-(4-methylphenyl)propanamide;hydrochloride
CID 119653380
methyl 2-chloro-2-[methyl-(4-methylphenyl)carbamoyl]butanoate
CID 139208848
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride (CID 119706053) is 3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride is Cc1ccc(N(C)C(=O)C(C)(C)CN)cc1.Cl.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is ZGXQZSAAHWQLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-10-5-7-11(8-6-10)15(4)12(16)13(2,3)9-14;/h5-8H,9,14H2,1-4H3;1H.
What are the key properties of 3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride?
3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119706053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).