N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide

C15H23NO2 — CID 12833452

IUPACN,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide
SMILESCCN(CC)C(=O)Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-5-16(6-2)15(18)10-12-7-8-14(17)13(9-12)11(3)4/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyKJKAZEFFAJPSBG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds5

About N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide

N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide (PubChem CID 12833452) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide
PubChem CID12833452
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide
SMILESCCN(CC)C(=O)Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-5-16(6-2)15(18)10-12-7-8-14(17)13(9-12)11(3)4/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyKJKAZEFFAJPSBG-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide (CID 12833452) is N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide is CCN(CC)C(=O)Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide?
The InChIKey is KJKAZEFFAJPSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-16(6-2)15(18)10-12-7-8-14(17)13(9-12)11(3)4/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide?
N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide has a molecular weight of 249.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-hydroxy-3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 12833452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).