[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate

C20H20N2O5 — CID 7901803

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCCCNC(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C20H20N2O5/c1-2-9-21-20(25)22-17(23)12-27-18(24)10-14-11-26-16-8-7-13-5-3-4-6-15(13)19(14)16/h3-8,11H,2,9-10,12H2,1H3,(H2,21,22,23,25)
InChIKeyORHMAPNMPWQTKK-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.91
Rot. Bonds6

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 7901803) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID7901803
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCCCNC(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C20H20N2O5/c1-2-9-21-20(25)22-17(23)12-27-18(24)10-14-11-26-16-8-7-13-5-3-4-6-15(13)19(14)16/h3-8,11H,2,9-10,12H2,1H3,(H2,21,22,23,25)
InChIKeyORHMAPNMPWQTKK-UHFFFAOYSA-N
XLogP2.91
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525572
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
[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-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796300
[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-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
CID 7901833
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 55534378
2-benzo[e][1]benzofuran-1-yl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate (CID 7901803) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate is CCCNC(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is ORHMAPNMPWQTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-2-9-21-20(25)22-17(23)12-27-18(24)10-14-11-26-16-8-7-13-5-3-4-6-15(13)19(14)16/h3-8,11H,2,9-10,12H2,1H3,(H2,21,22,23,25).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 368.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 7901803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).