N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide

C17H19NO3 — CID 31448668

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
SMILESCc1ccc(OCCNC(=O)c2ccccc2O)c(C)c1
InChIInChI=1S/C17H19NO3/c1-12-7-8-16(13(2)11-12)21-10-9-18-17(20)14-5-3-4-6-15(14)19/h3-8,11,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyBIPRNMRAJKZYLQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide

N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide (PubChem CID 31448668) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
PubChem CID31448668
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
SMILESCc1ccc(OCCNC(=O)c2ccccc2O)c(C)c1
InChIInChI=1S/C17H19NO3/c1-12-7-8-16(13(2)11-12)21-10-9-18-17(20)14-5-3-4-6-15(14)19/h3-8,11,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyBIPRNMRAJKZYLQ-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
CID 61031629
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711
N-[2-(2,6-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 17386421
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985
4-bromo-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531936
N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
CID 22948480
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
N-[2-(2,4-dimethylphenoxy)ethyl]-3-iodobenzamide
CID 100514188
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
CID 26446526

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide (CID 31448668) is N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide is Cc1ccc(OCCNC(=O)c2ccccc2O)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide?
The InChIKey is BIPRNMRAJKZYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-7-8-16(13(2)11-12)21-10-9-18-17(20)14-5-3-4-6-15(14)19/h3-8,11,19H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide has a molecular weight of 285.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 31448668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).