[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate

C20H23NO6 — CID 7976840

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-24-16-10-9-15(18(25-2)19(16)26-3)20(23)27-13-17(22)21-12-11-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3,(H,21,22)
InChIKeyOGHJOJOCYBDRBQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.23
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate (PubChem CID 7976840) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate
PubChem CID7976840
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-24-16-10-9-15(18(25-2)19(16)26-3)20(23)27-13-17(22)21-12-11-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3,(H,21,22)
InChIKeyOGHJOJOCYBDRBQ-UHFFFAOYSA-N
XLogP2.23
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335043
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197876
[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075571
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,3,4-trimethoxybenzoate
CID 7758365
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197908
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3-dimethoxybenzoate
CID 7604433
[2-(3-methylbutylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2528100
[2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7758376
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646
2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
CID 30194766
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203446

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate (CID 7976840) is [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OCC(=O)NCCc2ccccc2)c(OC)c1OC.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate?
The InChIKey is OGHJOJOCYBDRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-24-16-10-9-15(18(25-2)19(16)26-3)20(23)27-13-17(22)21-12-11-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3,(H,21,22).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate has a molecular weight of 373.41 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 7976840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).