N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide

C14H19NO3 — CID 102685018

IUPACN-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C14H19NO3/c1-10-9-12(17)5-6-13(10)14(18)15(7-8-16)11-3-2-4-11/h5-6,9,11,16-17H,2-4,7-8H2,1H3
InChIKeyOUKZGJMZHBISMK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds4

About N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide

N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 102685018) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID102685018
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C14H19NO3/c1-10-9-12(17)5-6-13(10)14(18)15(7-8-16)11-3-2-4-11/h5-6,9,11,16-17H,2-4,7-8H2,1H3
InChIKeyOUKZGJMZHBISMK-UHFFFAOYSA-N
XLogP1.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107671574
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
N-cyclopentyl-2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 54994498
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129
2-chloro-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 106501618
2-amino-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 107074484
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
N-(4-aminocyclohexyl)-N-ethyl-4-hydroxy-2-methylbenzamide
CID 107672163
N-cyclobutyl-2-fluoro-4-hydroxy-N-(3-hydroxypropyl)benzamide
CID 102978235
N-cyclopropyl-4-hydroxy-N,2-dimethylbenzamide
CID 103863729
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
CID 106509715
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide (CID 102685018) is N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1cc(O)ccc1C(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is OUKZGJMZHBISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-9-12(17)5-6-13(10)14(18)15(7-8-16)11-3-2-4-11/h5-6,9,11,16-17H,2-4,7-8H2,1H3.
What are the key properties of N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide?
N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 102685018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).