N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide

C24H26N2O5 — CID 20926267

IUPACN-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2c(C(=O)N3CCCCCC3)oc3ccccc23)cc1
InChIInChI=1S/C24H26N2O5/c1-29-17-10-12-18(13-11-17)30-16-21(27)25-22-19-8-4-5-9-20(19)31-23(22)24(28)26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,25,27)
InChIKeyFFQXYDCDLMRBPK-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.48
Rot. Bonds6

About N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide

N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 20926267) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID20926267
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2c(C(=O)N3CCCCCC3)oc3ccccc23)cc1
InChIInChI=1S/C24H26N2O5/c1-29-17-10-12-18(13-11-17)30-16-21(27)25-22-19-8-4-5-9-20(19)31-23(22)24(28)26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,25,27)
InChIKeyFFQXYDCDLMRBPK-UHFFFAOYSA-N
XLogP4.48
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide (CID 20926267) is N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2c(C(=O)N3CCCCCC3)oc3ccccc23)cc1.
What is the InChIKey of N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is FFQXYDCDLMRBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-29-17-10-12-18(13-11-17)30-16-21(27)25-22-19-8-4-5-9-20(19)31-23(22)24(28)26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,25,27).
What are the key properties of N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide?
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 422.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 20926267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).