N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide

C13H20N2O2 — CID 115365600

IUPACN-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(C)CN)c1O
InChIInChI=1S/C13H20N2O2/c1-9-5-4-6-10(11(9)16)12(17)15-8-13(2,3)7-14/h4-6,16H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyXGLWUIJOXCZVEA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.42
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide (PubChem CID 115365600) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
PubChem CID115365600
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(C)CN)c1O
InChIInChI=1S/C13H20N2O2/c1-9-5-4-6-10(11(9)16)12(17)15-8-13(2,3)7-14/h4-6,16H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyXGLWUIJOXCZVEA-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 66172396
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 64549061
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide
CID 106139307
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
CID 106116184
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
CID 107233515

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide (CID 115365600) is N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)(C)CN)c1O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is XGLWUIJOXCZVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-4-6-10(11(9)16)12(17)15-8-13(2,3)7-14/h4-6,16H,7-8,14H2,1-3H3,(H,15,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 115365600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).