2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C25H27N3O3 — CID 6500005

IUPAC2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C25H27N3O3/c1-25(2,3)20-11-5-7-13-22(20)31-17-23(29)28-21-12-6-4-10-19(21)24(30)27-16-18-9-8-14-26-15-18/h4-15H,16-17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyJUJWYSABFRHWOP-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.33
Rot. Bonds7

About 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 6500005) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID6500005
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C25H27N3O3/c1-25(2,3)20-11-5-7-13-22(20)31-17-23(29)28-21-12-6-4-10-19(21)24(30)27-16-18-9-8-14-26-15-18/h4-15H,16-17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyJUJWYSABFRHWOP-UHFFFAOYSA-N
XLogP4.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 6500005) is 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JUJWYSABFRHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-25(2,3)20-11-5-7-13-22(20)31-17-23(29)28-21-12-6-4-10-19(21)24(30)27-16-18-9-8-14-26-15-18/h4-15H,16-17H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 6500005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).