N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide

C12H14N2O2 — CID 103957007

IUPACN-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)ccc1O
InChIInChI=1S/C12H14N2O2/c1-8-6-9(4-5-10(8)15)11(16)14-12(2,3)7-13/h4-6,15H,1-3H3,(H,14,16)
InChIKeyNQJYQUTZVXBCBG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.73
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide

N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide (PubChem CID 103957007) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide
PubChem CID103957007
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)ccc1O
InChIInChI=1S/C12H14N2O2/c1-8-6-9(4-5-10(8)15)11(16)14-12(2,3)7-13/h4-6,15H,1-3H3,(H,14,16)
InChIKeyNQJYQUTZVXBCBG-UHFFFAOYSA-N
XLogP1.73
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-cyanopropan-2-yl)-4-methylbenzamide
CID 71865591
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 103955509
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxy-3-methylbenzamide
CID 114008304
N-(2-cyanopropan-2-yl)-4-fluorobenzamide
CID 60966958
N-(2-cyanopropan-2-yl)-4-ethylbenzamide
CID 60967523
N-(2-cyanopropan-2-yl)-4-methylsulfanylbenzamide
CID 112731227
N-(2-cyanopropan-2-yl)-5-methylthiophene-3-carboxamide
CID 131115004
N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107672234
N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 142264774
N-(3-bromo-2,2-dimethylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673135
N-(4-bromo-2-cyanophenyl)-4-hydroxy-3-methylbenzamide
CID 107675930

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide (CID 103957007) is N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NC(C)(C)C#N)ccc1O.
What is the InChIKey of N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide?
The InChIKey is NQJYQUTZVXBCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-6-9(4-5-10(8)15)11(16)14-12(2,3)7-13/h4-6,15H,1-3H3,(H,14,16).
What are the key properties of N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide?
N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide has a molecular weight of 218.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103957007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).