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

C15H21NO2 — CID 103865517

IUPACN-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
SMILESCCC(CC1CC1)NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C15H21NO2/c1-3-12(9-11-4-5-11)16-15(18)14-7-6-13(17)8-10(14)2/h6-8,11-12,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeySTXAYNSYZLPXSL-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.01
Rot. Bonds5

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

N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide (PubChem CID 103865517) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
PubChem CID103865517
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
SMILESCCC(CC1CC1)NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C15H21NO2/c1-3-12(9-11-4-5-11)16-15(18)14-7-6-13(17)8-10(14)2/h6-8,11-12,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeySTXAYNSYZLPXSL-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
N-(1-bromopentan-3-yl)-4-hydroxy-2-methylbenzamide
CID 107673198
N-(1-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222
4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
CID 63994432
N-(1-cyclopropylbutan-2-yl)-5-methyl-2-(methylamino)benzamide
CID 63994027
N-(1-cyclopropylbutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63994419
N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865389
6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid
CID 63996569
N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
CID 103865605
N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide
CID 107673096
N-(2-cyclopentylethyl)-4-hydroxy-2-methylbenzamide
CID 103865170
N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297389

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide (CID 103865517) is N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide is CCC(CC1CC1)NC(=O)c1ccc(O)cc1C.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide?
The InChIKey is STXAYNSYZLPXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12(9-11-4-5-11)16-15(18)14-7-6-13(17)8-10(14)2/h6-8,11-12,17H,3-5,9H2,1-2H3,(H,16,18).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide?
N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103865517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).