[4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate

C20H26N2O2 — CID 144541831

IUPAC[4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate
SMILES[H]/N=C(/Oc1cc(C)c(CCN(C)CC)cc1C)c1ccccc1O
InChIInChI=1S/C20H26N2O2/c1-5-22(4)11-10-16-12-15(3)19(13-14(16)2)24-20(21)17-8-6-7-9-18(17)23/h6-9,12-13,21,23H,5,10-11H2,1-4H3/b21-20+
InChIKeyKGHTXBPYFFBJPO-QZQOTICOSA-N
MW326.44 g/mol
LogP3.91
Rot. Bonds6

About [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate

[4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate (PubChem CID 144541831) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate.

Molecular Properties

Compound Name[4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate
PubChem CID144541831
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate
SMILES[H]/N=C(/Oc1cc(C)c(CCN(C)CC)cc1C)c1ccccc1O
InChIInChI=1S/C20H26N2O2/c1-5-22(4)11-10-16-12-15(3)19(13-14(16)2)24-20(21)17-8-6-7-9-18(17)23/h6-9,12-13,21,23H,5,10-11H2,1-4H3/b21-20+
InChIKeyKGHTXBPYFFBJPO-QZQOTICOSA-N
XLogP3.91
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate?
The IUPAC name of [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate (CID 144541831) is [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate.
What is the SMILES notation for [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate?
The canonical SMILES for [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate is [H]/N=C(/Oc1cc(C)c(CCN(C)CC)cc1C)c1ccccc1O.
What is the InChIKey of [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate?
The InChIKey is KGHTXBPYFFBJPO-QZQOTICOSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-22(4)11-10-16-12-15(3)19(13-14(16)2)24-20(21)17-8-6-7-9-18(17)23/h6-9,12-13,21,23H,5,10-11H2,1-4H3/b21-20+.
What are the key properties of [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate?
[4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate has a molecular weight of 326.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate is sourced from PubChem (CID 144541831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).