[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate

C20H23NO6 — CID 55390142

IUPAC[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OC(C(=O)N(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C20H23NO6/c1-21(2)19(22)18(13-9-7-6-8-10-13)27-20(23)14-11-16(25-4)17(26-5)12-15(14)24-3/h6-12,18H,1-5H3
InChIKeyGCJWWRUEAPXRQB-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.70
Rot. Bonds7

About [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate

[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate (PubChem CID 55390142) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
PubChem CID55390142
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OC(C(=O)N(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C20H23NO6/c1-21(2)19(22)18(13-9-7-6-8-10-13)27-20(23)14-11-16(25-4)17(26-5)12-15(14)24-3/h6-12,18H,1-5H3
InChIKeyGCJWWRUEAPXRQB-UHFFFAOYSA-N
XLogP2.70
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
CID 18198886
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 33120915
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 55392029
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 18198752
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7716196
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate
CID 18199295
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7704010
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3,5-bis(trifluoromethyl)benzoate
CID 55391917
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8638579

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate?
The IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate (CID 55390142) is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate is COc1cc(OC)c(C(=O)OC(C(=O)N(C)C)c2ccccc2)cc1OC.
What is the InChIKey of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate?
The InChIKey is GCJWWRUEAPXRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-21(2)19(22)18(13-9-7-6-8-10-13)27-20(23)14-11-16(25-4)17(26-5)12-15(14)24-3/h6-12,18H,1-5H3.
What are the key properties of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate?
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate has a molecular weight of 373.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 55390142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).