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

C20H18N2O5 — CID 8525572

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(COC(=O)Cc1coc2ccc3ccccc3c12)NC(=O)NC1CC1
InChIInChI=1S/C20H18N2O5/c23-17(22-20(25)21-14-6-7-14)11-27-18(24)9-13-10-26-16-8-5-12-3-1-2-4-15(12)19(13)16/h1-5,8,10,14H,6-7,9,11H2,(H2,21,22,23,25)
InChIKeyUAHHNOZYYGVFSL-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.66
Rot. Bonds5

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

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 8525572) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID8525572
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(COC(=O)Cc1coc2ccc3ccccc3c12)NC(=O)NC1CC1
InChIInChI=1S/C20H18N2O5/c23-17(22-20(25)21-14-6-7-14)11-27-18(24)9-13-10-26-16-8-5-12-3-1-2-4-15(12)19(13)16/h1-5,8,10,14H,6-7,9,11H2,(H2,21,22,23,25)
InChIKeyUAHHNOZYYGVFSL-UHFFFAOYSA-N
XLogP2.66
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8737771
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
[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-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525583
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
CID 7901833
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 7968395
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011250
4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34279531

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (CID 8525572) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is O=C(COC(=O)Cc1coc2ccc3ccccc3c12)NC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is UAHHNOZYYGVFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-17(22-20(25)21-14-6-7-14)11-27-18(24)9-13-10-26-16-8-5-12-3-1-2-4-15(12)19(13)16/h1-5,8,10,14H,6-7,9,11H2,(H2,21,22,23,25).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 366.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 8525572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).