[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C20H29NO6 — CID 3927054

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N(C)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H29NO6/c1-21(15-8-6-5-7-9-15)18(22)13-27-19(23)12-14-10-16(24-2)20(26-4)17(11-14)25-3/h10-11,15H,5-9,12-13H2,1-4H3
InChIKeyGUCDAHJVFBBHGM-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.59
Rot. Bonds8

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 3927054) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID3927054
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N(C)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C20H29NO6/c1-21(15-8-6-5-7-9-15)18(22)13-27-19(23)12-14-10-16(24-2)20(26-4)17(11-14)25-3/h10-11,15H,5-9,12-13H2,1-4H3
InChIKeyGUCDAHJVFBBHGM-UHFFFAOYSA-N
XLogP2.59
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 3927054) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCC(=O)N(C)C2CCCCC2)cc(OC)c1OC.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is GUCDAHJVFBBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO6/c1-21(15-8-6-5-7-9-15)18(22)13-27-19(23)12-14-10-16(24-2)20(26-4)17(11-14)25-3/h10-11,15H,5-9,12-13H2,1-4H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 379.45 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 3927054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).