N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride

C13H21ClN2O — CID 119522804

IUPACN-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9-5-10(2)7-11(6-9)12(16)15-13(3,4)8-14;/h5-7H,8,14H2,1-4H3,(H,15,16);1H
InChIKeySNTMHBOXCRVONK-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.19
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride (PubChem CID 119522804) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
PubChem CID119522804
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9-5-10(2)7-11(6-9)12(16)15-13(3,4)8-14;/h5-7H,8,14H2,1-4H3,(H,15,16);1H
InChIKeySNTMHBOXCRVONK-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride (CID 119522804) is N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride is Cc1cc(C)cc(C(=O)NC(C)(C)CN)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride?
The InChIKey is SNTMHBOXCRVONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-9-5-10(2)7-11(6-9)12(16)15-13(3,4)8-14;/h5-7H,8,14H2,1-4H3,(H,15,16);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.19, 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)-3,5-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119522804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).