2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide

C12H18N2O2 — CID 67573843

IUPAC2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide
SMILESCCNCC(=O)Nc1c(C)cc(O)cc1C
InChIInChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-10(15)6-9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16)
InChIKeyXLBKFJPTWJFZJG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.56
Rot. Bonds4

About 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide

2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide (PubChem CID 67573843) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide
PubChem CID67573843
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide
SMILESCCNCC(=O)Nc1c(C)cc(O)cc1C
InChIInChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-10(15)6-9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16)
InChIKeyXLBKFJPTWJFZJG-UHFFFAOYSA-N
XLogP1.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide (CID 67573843) is 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide is CCNCC(=O)Nc1c(C)cc(O)cc1C.
What is the InChIKey of 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide?
The InChIKey is XLBKFJPTWJFZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-10(15)6-9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16).
What are the key properties of 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide?
2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 67573843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).