N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide

C13H20N2O2 — CID 115365709

IUPACN-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CN)c(O)c1
InChIInChI=1S/C13H20N2O2/c1-9-4-5-10(11(16)6-9)12(17)15-8-13(2,3)7-14/h4-6,16H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyPBWJBAQCZZTGLN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.42
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide (PubChem CID 115365709) 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-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
PubChem CID115365709
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CN)c(O)c1
InChIInChI=1S/C13H20N2O2/c1-9-4-5-10(11(16)6-9)12(17)15-8-13(2,3)7-14/h4-6,16H,7-8,14H2,1-3H3,(H,15,17)
InChIKeyPBWJBAQCZZTGLN-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

N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82723944
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
CID 43589395
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide (CID 115365709) is N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCC(C)(C)CN)c(O)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is PBWJBAQCZZTGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-4-5-10(11(16)6-9)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-4-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-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-4-methylbenzamide is sourced from PubChem (CID 115365709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).