2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide

C21H18N2O2 — CID 8700530

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccn1
InChIInChI=1S/C21H18N2O2/c1-14(18-8-4-5-11-22-18)23-20(24)12-16-13-25-19-10-9-15-6-2-3-7-17(15)21(16)19/h2-11,13-14H,12H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyPDVCIDCXPSBUJJ-AWEZNQCLSA-N
MW330.39 g/mol
LogP4.40
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide (PubChem CID 8700530) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
PubChem CID8700530
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccn1
InChIInChI=1S/C21H18N2O2/c1-14(18-8-4-5-11-22-18)23-20(24)12-16-13-25-19-10-9-15-6-2-3-7-17(15)21(16)19/h2-11,13-14H,12H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyPDVCIDCXPSBUJJ-AWEZNQCLSA-N
XLogP4.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41194976
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51968597
2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 86906340
2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 18112615
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 93234966
methyl (2R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylpentanoate
CID 9113240
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-benzo[e][1]benzofuran-1-yl-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928316
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 24650064

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide (CID 8700530) is 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide is C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccn1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is PDVCIDCXPSBUJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14(18-8-4-5-11-22-18)23-20(24)12-16-13-25-19-10-9-15-6-2-3-7-17(15)21(16)19/h2-11,13-14H,12H2,1H3,(H,23,24)/t14-/m0/s1.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 8700530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).