N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide

C14H19NO2 — CID 113341412

IUPACN-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(C)CC1CC1
InChIInChI=1S/C14H19NO2/c1-9-7-12(16)5-6-13(9)14(17)15-10(2)8-11-3-4-11/h5-7,10-11,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyXLTOYAFLCWQTJV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.62
Rot. Bonds4

About N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide

N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide (PubChem CID 113341412) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
PubChem CID113341412
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(C)CC1CC1
InChIInChI=1S/C14H19NO2/c1-9-7-12(16)5-6-13(9)14(17)15-10(2)8-11-3-4-11/h5-7,10-11,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyXLTOYAFLCWQTJV-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865517
4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 103865756
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865375
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821
N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
CID 103865605
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide
CID 78956600
N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide
CID 107673096
N-(2-cyclopentylethyl)-4-hydroxy-2-methylbenzamide
CID 103865170

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide (CID 113341412) is N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide?
The InChIKey is XLTOYAFLCWQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-7-12(16)5-6-13(9)14(17)15-10(2)8-11-3-4-11/h5-7,10-11,16H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide?
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 113341412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).