2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide

C21H21NO3 — CID 126807617

IUPAC2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide
SMILESCCOc1ccc([C@@H]2C[C@H]2NC(=O)Cc2coc3ccccc23)cc1
InChIInChI=1S/C21H21NO3/c1-2-24-16-9-7-14(8-10-16)18-12-19(18)22-21(23)11-15-13-25-20-6-4-3-5-17(15)20/h3-10,13,18-19H,2,11-12H2,1H3,(H,22,23)/t18-,19+/m0/s1
InChIKeyZBMNIVHDYBKPKA-RBUKOAKNSA-N
MW335.40 g/mol
LogP4.05
Rot. Bonds6

About 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide

2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide (PubChem CID 126807617) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide
PubChem CID126807617
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide
SMILESCCOc1ccc([C@@H]2C[C@H]2NC(=O)Cc2coc3ccccc23)cc1
InChIInChI=1S/C21H21NO3/c1-2-24-16-9-7-14(8-10-16)18-12-19(18)22-21(23)11-15-13-25-20-6-4-3-5-17(15)20/h3-10,13,18-19H,2,11-12H2,1H3,(H,22,23)/t18-,19+/m0/s1
InChIKeyZBMNIVHDYBKPKA-RBUKOAKNSA-N
XLogP4.05
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide with MolForge

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Related Compounds

2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
CID 110741722
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
CID 103917742
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710
[2-(4-ethoxyphenyl)cyclopropyl]-phenylmethanone
CID 14939960
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide
CID 80700757
2-(1-benzofuran-3-yl)-N-pentylacetamide
CID 110485830
ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 110854089
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide (CID 126807617) is 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide is CCOc1ccc([C@@H]2C[C@H]2NC(=O)Cc2coc3ccccc23)cc1.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide?
The InChIKey is ZBMNIVHDYBKPKA-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H21NO3/c1-2-24-16-9-7-14(8-10-16)18-12-19(18)22-21(23)11-15-13-25-20-6-4-3-5-17(15)20/h3-10,13,18-19H,2,11-12H2,1H3,(H,22,23)/t18-,19+/m0/s1.
What are the key properties of 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide?
2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-[(1R,2S)-2-(4-ethoxyphenyl)cyclopropyl]acetamide is sourced from PubChem (CID 126807617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).