N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide

C27H27NO3 — CID 18861632

IUPACN-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3c(C)c(C)ccc23)cc1
InChIInChI=1S/C27H27NO3/c1-4-30-24-13-11-23(12-14-24)28(17-21-8-6-5-7-9-21)26(29)16-22-18-31-27-20(3)19(2)10-15-25(22)27/h5-15,18H,4,16-17H2,1-3H3
InChIKeyAJVHRVGRIUXLDS-UHFFFAOYSA-N
MW413.52 g/mol
LogP6.22
Rot. Bonds7

About N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide

N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 18861632) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID18861632
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC NameN-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3c(C)c(C)ccc23)cc1
InChIInChI=1S/C27H27NO3/c1-4-30-24-13-11-23(12-14-24)28(17-21-8-6-5-7-9-21)26(29)16-22-18-31-27-20(3)19(2)10-15-25(22)27/h5-15,18H,4,16-17H2,1-3H3
InChIKeyAJVHRVGRIUXLDS-UHFFFAOYSA-N
XLogP6.22
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide (CID 18861632) is N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3c(C)c(C)ccc23)cc1.
What is the InChIKey of N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is AJVHRVGRIUXLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-4-30-24-13-11-23(12-14-24)28(17-21-8-6-5-7-9-21)26(29)16-22-18-31-27-20(3)19(2)10-15-25(22)27/h5-15,18H,4,16-17H2,1-3H3.
What are the key properties of N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 18861632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).