2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide

C20H21NO2 — CID 2446439

IUPAC2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCCc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)coc2c1
InChIInChI=1S/C20H21NO2/c1-3-15-9-10-18-17(13-23-19(18)11-15)12-20(22)21-14(2)16-7-5-4-6-8-16/h4-11,13-14H,3,12H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyRKKJBXQTBOTAAP-AWEZNQCLSA-N
MW307.39 g/mol
LogP4.42
Rot. Bonds5

About 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide

2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 2446439) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID2446439
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCCc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)coc2c1
InChIInChI=1S/C20H21NO2/c1-3-15-9-10-18-17(13-23-19(18)11-15)12-20(22)21-14(2)16-7-5-4-6-8-16/h4-11,13-14H,3,12H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyRKKJBXQTBOTAAP-AWEZNQCLSA-N
XLogP4.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
2-(6-ethyl-1-benzofuran-3-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18110361
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 9477513
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
CID 9470559
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251987
N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7930956
N-(2,3-dihydro-1H-inden-1-yl)-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 18103846
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877348

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 2446439) is 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide is CCc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)coc2c1.
What is the InChIKey of 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is RKKJBXQTBOTAAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21NO2/c1-3-15-9-10-18-17(13-23-19(18)11-15)12-20(22)21-14(2)16-7-5-4-6-8-16/h4-11,13-14H,3,12H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide?
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 2446439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).