N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride

C12H19ClN2O — CID 119523789

IUPACN-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-5-4-6-10(7-9)11(15)14-12(2,3)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H
InChIKeyCIIYELSACBSIQD-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.88
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride (PubChem CID 119523789) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
PubChem CID119523789
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-5-4-6-10(7-9)11(15)14-12(2,3)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H
InChIKeyCIIYELSACBSIQD-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
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N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
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N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
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CID 119522644
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzamide;hydrochloride
CID 119523285
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N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide
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N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
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N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
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N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
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N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride (CID 119523789) is N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride is Cc1cccc(C(=O)NC(C)(C)CN)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride?
The InChIKey is CIIYELSACBSIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-9-5-4-6-10(7-9)11(15)14-12(2,3)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119523789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).