N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide

C20H21NO3 — CID 58047066

IUPACN-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc2cc(CCc3ccc(O)cc3)ccc2o1
InChIInChI=1S/C20H21NO3/c1-13(21-14(2)22)20-12-17-11-16(7-10-19(17)24-20)4-3-15-5-8-18(23)9-6-15/h5-13,23H,3-4H2,1-2H3,(H,21,22)
InChIKeyIFYNZSPXPGFERW-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.12
Rot. Bonds5

About N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide

N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide (PubChem CID 58047066) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
PubChem CID58047066
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc2cc(CCc3ccc(O)cc3)ccc2o1
InChIInChI=1S/C20H21NO3/c1-13(21-14(2)22)20-12-17-11-16(7-10-19(17)24-20)4-3-15-5-8-18(23)9-6-15/h5-13,23H,3-4H2,1-2H3,(H,21,22)
InChIKeyIFYNZSPXPGFERW-UHFFFAOYSA-N
XLogP4.12
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide (CID 58047066) is N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide is CC(=O)NC(C)c1cc2cc(CCc3ccc(O)cc3)ccc2o1.
What is the InChIKey of N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide?
The InChIKey is IFYNZSPXPGFERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13(21-14(2)22)20-12-17-11-16(7-10-19(17)24-20)4-3-15-5-8-18(23)9-6-15/h5-13,23H,3-4H2,1-2H3,(H,21,22).
What are the key properties of N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide?
N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide has a molecular weight of 323.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide is sourced from PubChem (CID 58047066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).