N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide

C19H24N2O4 — CID 91042264

IUPACN-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide
SMILESCCNc1cc(C)c(Oc2ccc(O)c(NC(=O)COC)c2)c(C)c1
InChIInChI=1S/C19H24N2O4/c1-5-20-14-8-12(2)19(13(3)9-14)25-15-6-7-17(22)16(10-15)21-18(23)11-24-4/h6-10,20,22H,5,11H2,1-4H3,(H,21,23)
InChIKeyZGYJOWIBOBAZSW-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.82
Rot. Bonds7

About N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide

N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide (PubChem CID 91042264) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide
PubChem CID91042264
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide
SMILESCCNc1cc(C)c(Oc2ccc(O)c(NC(=O)COC)c2)c(C)c1
InChIInChI=1S/C19H24N2O4/c1-5-20-14-8-12(2)19(13(3)9-14)25-15-6-7-17(22)16(10-15)21-18(23)11-24-4/h6-10,20,22H,5,11H2,1-4H3,(H,21,23)
InChIKeyZGYJOWIBOBAZSW-UHFFFAOYSA-N
XLogP3.82
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide
CID 59041729
ethyl 2-[4-[4-hydroxy-3-(2-methylpropanoylamino)phenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 59041781
[2-[4-[4-hydroxy-3-(2-phenylpropanoylamino)phenoxy]-3,5-dimethylanilino]-2-oxoethyl] acetate
CID 59041614
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
3-[5-(4-amino-2,6-dimethylphenoxy)-2-hydroxyphenyl]-1-hexyl-1-methylurea
CID 59041843
N-[2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4-methylquinolin-6-yl]-2-methoxyacetamide
CID 169413461
methyl 3-[4-[4-hydroxy-3-(4-methylphenyl)phenoxy]-3,5-dimethylanilino]-3-oxopropanoate
CID 69260442
ethyl 2-[4-[4-hydroxy-3-(pyridine-2-carbonylamino)phenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 59041638
N-(2-hydroxy-5-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 883490
ethyl 2-[4-[3-(cyclopropylsulfonylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 10275556
methyl 3-[4-[3-(2-cyclopentylethyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoate
CID 69258335
ethyl 2-[4-[4-hydroxy-3-(3-phenylpropylcarbamoylamino)phenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 59041671

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide?
The IUPAC name of N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide (CID 91042264) is N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide is CCNc1cc(C)c(Oc2ccc(O)c(NC(=O)COC)c2)c(C)c1.
What is the InChIKey of N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide?
The InChIKey is ZGYJOWIBOBAZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-20-14-8-12(2)19(13(3)9-14)25-15-6-7-17(22)16(10-15)21-18(23)11-24-4/h6-10,20,22H,5,11H2,1-4H3,(H,21,23).
What are the key properties of N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide?
N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide has a molecular weight of 344.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide is sourced from PubChem (CID 91042264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).