N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide

C20H21NO3 — CID 58047041

IUPACN-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc2ccc(CCc3ccc(O)cc3)cc2o1
InChIInChI=1S/C20H21NO3/c1-13(21-14(2)22)19-12-17-8-5-16(11-20(17)24-19)4-3-15-6-9-18(23)10-7-15/h5-13,23H,3-4H2,1-2H3,(H,21,22)
InChIKeyMCHJLSYIOUXZOO-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.12
Rot. Bonds5

About N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide

N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide (PubChem CID 58047041) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
PubChem CID58047041
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc2ccc(CCc3ccc(O)cc3)cc2o1
InChIInChI=1S/C20H21NO3/c1-13(21-14(2)22)19-12-17-8-5-16(11-20(17)24-19)4-3-15-6-9-18(23)10-7-15/h5-13,23H,3-4H2,1-2H3,(H,21,22)
InChIKeyMCHJLSYIOUXZOO-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

Analyze N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047066
N-[1-[6-[2-(4-propoxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047216
N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047353
ethyl 3-oxo-3-[1-[6-[2-(4-propoxyphenyl)ethyl]-1-benzofuran-2-yl]ethylamino]propanoate
CID 58047317
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide (CID 58047041) is N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide is CC(=O)NC(C)c1cc2ccc(CCc3ccc(O)cc3)cc2o1.
What is the InChIKey of N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide?
The InChIKey is MCHJLSYIOUXZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13(21-14(2)22)19-12-17-8-5-16(11-20(17)24-19)4-3-15-6-9-18(23)10-7-15/h5-13,23H,3-4H2,1-2H3,(H,21,22).
What are the key properties of N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide?
N-[1-[6-[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-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide is sourced from PubChem (CID 58047041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).