[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

C20H23NO8 — CID 33276175

IUPAC[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C20H23NO8/c1-11-6-18(23)29-12(2)19(11)20(24)28-10-17(22)21-9-13-7-15(26-4)16(27-5)8-14(13)25-3/h6-8H,9-10H2,1-5H3,(H,21,22)
InChIKeyQQDKHIHFGSOUDK-UHFFFAOYSA-N
MW405.40 g/mol
LogP1.76
Rot. Bonds8

About [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (PubChem CID 33276175) has the molecular formula C20H23NO8 and a molecular weight of 405.40 g/mol. Its IUPAC name is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
PubChem CID33276175
Molecular FormulaC20H23NO8
Molecular Weight405.40 g/mol
Exact Mass405.14
IUPAC Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C20H23NO8/c1-11-6-18(23)29-12(2)19(11)20(24)28-10-17(22)21-9-13-7-15(26-4)16(27-5)8-14(13)25-3/h6-8H,9-10H2,1-5H3,(H,21,22)
InChIKeyQQDKHIHFGSOUDK-UHFFFAOYSA-N
XLogP1.76
TPSA113.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 33274738
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
CID 9230124
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 33273438
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 42925672
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533770
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate
CID 9289451
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 18123459
(5-acetyl-2-methoxyphenyl)methyl 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533805
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 27928656
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate
CID 27893431
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 55398022

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (CID 33276175) is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate is COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1c(C)cc(=O)oc1C.
What is the InChIKey of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The InChIKey is QQDKHIHFGSOUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO8/c1-11-6-18(23)29-12(2)19(11)20(24)28-10-17(22)21-9-13-7-15(26-4)16(27-5)8-14(13)25-3/h6-8H,9-10H2,1-5H3,(H,21,22).
What are the key properties of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate has a molecular weight of 405.40 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 33276175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).