N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide

C17H19NO3 — CID 62003405

IUPACN-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCCc1ccc(N(C)C(=O)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C17H19NO3/c1-4-12-5-7-13(8-6-12)18(2)17(20)15-10-9-14(21-3)11-16(15)19/h5-11,19H,4H2,1-3H3
InChIKeyZGBHMNAHTDIUFW-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.24
Rot. Bonds4

About N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide

N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide (PubChem CID 62003405) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
PubChem CID62003405
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCCc1ccc(N(C)C(=O)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C17H19NO3/c1-4-12-5-7-13(8-6-12)18(2)17(20)15-10-9-14(21-3)11-16(15)19/h5-11,19H,4H2,1-3H3
InChIKeyZGBHMNAHTDIUFW-UHFFFAOYSA-N
XLogP3.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide (CID 62003405) is N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide is CCc1ccc(N(C)C(=O)c2ccc(OC)cc2O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
The InChIKey is ZGBHMNAHTDIUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-12-5-7-13(8-6-12)18(2)17(20)15-10-9-14(21-3)11-16(15)19/h5-11,19H,4H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 62003405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).