N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide

C13H20N2O2 — CID 64549061

IUPACN-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
SMILESCCC(C)(CN)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C13H20N2O2/c1-4-13(3,8-14)15-12(17)10-7-5-6-9(2)11(10)16/h5-7,16H,4,8,14H2,1-3H3,(H,15,17)
InChIKeyUTQPGOVGXAXMGJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds4

About N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide

N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide (PubChem CID 64549061) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
PubChem CID64549061
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
SMILESCCC(C)(CN)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C13H20N2O2/c1-4-13(3,8-14)15-12(17)10-7-5-6-9(2)11(10)16/h5-7,16H,4,8,14H2,1-3H3,(H,15,17)
InChIKeyUTQPGOVGXAXMGJ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide
CID 114345388
N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide
CID 114026640
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 114174076
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 64550717
2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
CID 63999734
2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113372142
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129
N-(1-amino-2-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 64548850
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide (CID 64549061) is N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide is CCC(C)(CN)NC(=O)c1cccc(C)c1O.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide?
The InChIKey is UTQPGOVGXAXMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(3,8-14)15-12(17)10-7-5-6-9(2)11(10)16/h5-7,16H,4,8,14H2,1-3H3,(H,15,17).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide?
N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 64549061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).