N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride

C13H21ClN2O2 — CID 119629575

IUPACN-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
SMILESCOCc1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2,14)9-15-12(16)11-6-4-10(5-7-11)8-17-3;/h4-7H,8-9,14H2,1-3H3,(H,15,16);1H
InChIKeyPLGRUVAPQDWLPY-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.72
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride (PubChem CID 119629575) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
PubChem CID119629575
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
SMILESCOCc1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2,14)9-15-12(16)11-6-4-10(5-7-11)8-17-3;/h4-7H,8-9,14H2,1-3H3,(H,15,16);1H
InChIKeyPLGRUVAPQDWLPY-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
2-ethyl-2-[[[4-(methoxymethyl)benzoyl]amino]methyl]butanoic acid
CID 115429725
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119629953
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261
N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119626861
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride (CID 119629575) is N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride is COCc1ccc(C(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride?
The InChIKey is PLGRUVAPQDWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-13(2,14)9-15-12(16)11-6-4-10(5-7-11)8-17-3;/h4-7H,8-9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride is sourced from PubChem (CID 119629575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).