[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C19H25NO6 — CID 2563347

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(OC)c1
InChIInChI=1S/C19H25NO6/c1-24-14-8-9-15(17(10-14)25-2)16(21)12-26-18(22)11-20-19(23)13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,20,23)
InChIKeyBGWISBNJZLKWRQ-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.13
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2563347) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2563347
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(OC)c1
InChIInChI=1S/C19H25NO6/c1-24-14-8-9-15(17(10-14)25-2)16(21)12-26-18(22)11-20-19(23)13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,20,23)
InChIKeyBGWISBNJZLKWRQ-UHFFFAOYSA-N
XLogP2.13
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2563347) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is COc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is BGWISBNJZLKWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-24-14-8-9-15(17(10-14)25-2)16(21)12-26-18(22)11-20-19(23)13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,20,23).
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 363.41 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2563347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).