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

C12H19ClN2O — CID 119670425

IUPAC3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)C(C)(C)CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-5-4-6-10(7-9)14-11(15)12(2,3)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H
InChIKeySVMHMLSAUVDMMS-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.34
Rot. Bonds3

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

3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride (PubChem CID 119670425) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
PubChem CID119670425
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)C(C)(C)CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-5-4-6-10(7-9)14-11(15)12(2,3)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H
InChIKeySVMHMLSAUVDMMS-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107701407
N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride
CID 119711356
2-(1-amino-2-methylpropan-2-yl)oxy-N-(3-methylphenyl)acetamide
CID 65053563
5-[(3-amino-2,2-dimethylpropanoyl)amino]-2-methylbenzoic acid
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3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride (CID 119670425) is 3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride is Cc1cccc(NC(=O)C(C)(C)CN)c1.Cl.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride?
The InChIKey is SVMHMLSAUVDMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-9-5-4-6-10(7-9)14-11(15)12(2,3)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride?
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119670425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).