[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

C23H19NO4 — CID 8525654

IUPAC[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(COC(=O)Cc1coc2ccc3ccccc3c12)NCc1ccccc1
InChIInChI=1S/C23H19NO4/c25-21(24-13-16-6-2-1-3-7-16)15-28-22(26)12-18-14-27-20-11-10-17-8-4-5-9-19(17)23(18)20/h1-11,14H,12-13,15H2,(H,24,25)
InChIKeyQXTHGRPEFAPNMF-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.99
Rot. Bonds6

About [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 8525654) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID8525654
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(COC(=O)Cc1coc2ccc3ccccc3c12)NCc1ccccc1
InChIInChI=1S/C23H19NO4/c25-21(24-13-16-6-2-1-3-7-16)15-28-22(26)12-18-14-27-20-11-10-17-8-4-5-9-19(17)23(18)20/h1-11,14H,12-13,15H2,(H,24,25)
InChIKeyQXTHGRPEFAPNMF-UHFFFAOYSA-N
XLogP3.99
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525572
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525666
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 29219272
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 24526969
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
CID 7901833
2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901560
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525583
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8737752

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (CID 8525654) is [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is O=C(COC(=O)Cc1coc2ccc3ccccc3c12)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is QXTHGRPEFAPNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-21(24-13-16-6-2-1-3-7-16)15-28-22(26)12-18-14-27-20-11-10-17-8-4-5-9-19(17)23(18)20/h1-11,14H,12-13,15H2,(H,24,25).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 373.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 8525654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).