[2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C17H25NO6 — CID 2380053

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)NCC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H25NO6/c1-11(2)9-18-15(19)10-24-16(20)8-12-6-13(21-3)17(23-5)14(7-12)22-4/h6-7,11H,8-10H2,1-5H3,(H,18,19)
InChIKeyLEWQHRLPQGVKPA-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.57
Rot. Bonds9

About [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 2380053) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID2380053
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)NCC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H25NO6/c1-11(2)9-18-15(19)10-24-16(20)8-12-6-13(21-3)17(23-5)14(7-12)22-4/h6-7,11H,8-10H2,1-5H3,(H,18,19)
InChIKeyLEWQHRLPQGVKPA-UHFFFAOYSA-N
XLogP1.57
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 2380053) is [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCC(=O)NCC(C)C)cc(OC)c1OC.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is LEWQHRLPQGVKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO6/c1-11(2)9-18-15(19)10-24-16(20)8-12-6-13(21-3)17(23-5)14(7-12)22-4/h6-7,11H,8-10H2,1-5H3,(H,18,19).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 339.39 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 2380053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).