[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate

C19H29NO4 — CID 5002966

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate
SMILESCC1CN(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)O1
InChIInChI=1S/C19H29NO4/c1-12-9-20(10-13(2)24-12)17(21)11-23-18(22)19-6-14-3-15(7-19)5-16(4-14)8-19/h12-16H,3-11H2,1-2H3
InChIKeySFVMYGYOBHIEPA-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.38
Rot. Bonds3

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 5002966) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate
PubChem CID5002966
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate
SMILESCC1CN(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)O1
InChIInChI=1S/C19H29NO4/c1-12-9-20(10-13(2)24-12)17(21)11-23-18(22)19-6-14-3-15(7-19)5-16(4-14)8-19/h12-16H,3-11H2,1-2H3
InChIKeySFVMYGYOBHIEPA-UHFFFAOYSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate (CID 5002966) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate is CC1CN(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is SFVMYGYOBHIEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-12-9-20(10-13(2)24-12)17(21)11-23-18(22)19-6-14-3-15(7-19)5-16(4-14)8-19/h12-16H,3-11H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 335.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 5002966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).