[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

C18H20N2O7 — CID 2998346

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O7/c1-24-14-7-11(8-15(25-2)17(14)26-3)18(23)20-9-16(22)27-10-13(21)12-5-4-6-19-12/h4-8,19H,9-10H2,1-3H3,(H,20,23)
InChIKeyQOVVDYONXKMTAP-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.20
Rot. Bonds9

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (PubChem CID 2998346) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
PubChem CID2998346
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O7/c1-24-14-7-11(8-15(25-2)17(14)26-3)18(23)20-9-16(22)27-10-13(21)12-5-4-6-19-12/h4-8,19H,9-10H2,1-3H3,(H,20,23)
InChIKeyQOVVDYONXKMTAP-UHFFFAOYSA-N
XLogP1.20
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (CID 2998346) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is COc1cc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The InChIKey is QOVVDYONXKMTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-24-14-7-11(8-15(25-2)17(14)26-3)18(23)20-9-16(22)27-10-13(21)12-5-4-6-19-12/h4-8,19H,9-10H2,1-3H3,(H,20,23).
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate has a molecular weight of 376.37 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2998346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).