2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile

C16H16N2O2 — CID 107735253

IUPAC2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile
SMILESCCN(c1cccc(O)c1)c1cc(OC)ccc1C#N
InChIInChI=1S/C16H16N2O2/c1-3-18(13-5-4-6-14(19)9-13)16-10-15(20-2)8-7-12(16)11-17/h4-10,19H,3H2,1-2H3
InChIKeyNYKIQWFOYPUNCN-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.43
Rot. Bonds4

About 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile

2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile (PubChem CID 107735253) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile
PubChem CID107735253
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile
SMILESCCN(c1cccc(O)c1)c1cc(OC)ccc1C#N
InChIInChI=1S/C16H16N2O2/c1-3-18(13-5-4-6-14(19)9-13)16-10-15(20-2)8-7-12(16)11-17/h4-10,19H,3H2,1-2H3
InChIKeyNYKIQWFOYPUNCN-UHFFFAOYSA-N
XLogP3.43
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile?
The IUPAC name of 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile (CID 107735253) is 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile?
The canonical SMILES for 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile is CCN(c1cccc(O)c1)c1cc(OC)ccc1C#N.
What is the InChIKey of 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile?
The InChIKey is NYKIQWFOYPUNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-18(13-5-4-6-14(19)9-13)16-10-15(20-2)8-7-12(16)11-17/h4-10,19H,3H2,1-2H3.
What are the key properties of 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile?
2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile is sourced from PubChem (CID 107735253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).