2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide

C25H28N2O3 — CID 108756010

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccn2)c2ccccc2O)c(C(C)(C)C)c1
InChIInChI=1S/C25H28N2O3/c1-18-12-13-23(20(15-18)25(2,3)4)30-17-24(29)27(16-19-9-7-8-14-26-19)21-10-5-6-11-22(21)28/h5-15,28H,16-17H2,1-4H3
InChIKeyUYYWKBWTSMJGGW-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.01
Rot. Bonds6

About 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide

2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108756010) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108756010
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccn2)c2ccccc2O)c(C(C)(C)C)c1
InChIInChI=1S/C25H28N2O3/c1-18-12-13-23(20(15-18)25(2,3)4)30-17-24(29)27(16-19-9-7-8-14-26-19)21-10-5-6-11-22(21)28/h5-15,28H,16-17H2,1-4H3
InChIKeyUYYWKBWTSMJGGW-UHFFFAOYSA-N
XLogP5.01
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 108756010) is 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2ccccn2)c2ccccc2O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is UYYWKBWTSMJGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-18-12-13-23(20(15-18)25(2,3)4)30-17-24(29)27(16-19-9-7-8-14-26-19)21-10-5-6-11-22(21)28/h5-15,28H,16-17H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108756010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).