N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride

C14H23ClN2O — CID 119630213

IUPACN-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10(2)11-5-7-12(8-6-11)13(17)16-9-14(3,4)15;/h5-8,10H,9,15H2,1-4H3,(H,16,17);1H
InChIKeyITYODXHBKQMGQH-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.70
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride (PubChem CID 119630213) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
PubChem CID119630213
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10(2)11-5-7-12(8-6-11)13(17)16-9-14(3,4)15;/h5-8,10H,9,15H2,1-4H3,(H,16,17);1H
InChIKeyITYODXHBKQMGQH-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
CID 103899537
N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
CID 64992078
2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid
CID 115429720
1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119629402
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119629953
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride (CID 119630213) is N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride is CC(C)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride?
The InChIKey is ITYODXHBKQMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-10(2)11-5-7-12(8-6-11)13(17)16-9-14(3,4)15;/h5-8,10H,9,15H2,1-4H3,(H,16,17);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119630213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).