ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate

C19H30N2O4 — CID 66555226

IUPACethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate
SMILESCCOC(=O)CN1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C19H30N2O4/c1-2-24-17(22)11-21-3-4-25-16(10-21)19(23)20-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-16,18H,2-11H2,1H3,(H,20,23)
InChIKeyVFZUKEZMKIHKQF-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.19
Rot. Bonds5

About ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate

ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate (PubChem CID 66555226) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate
PubChem CID66555226
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nameethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate
SMILESCCOC(=O)CN1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C19H30N2O4/c1-2-24-17(22)11-21-3-4-25-16(10-21)19(23)20-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-16,18H,2-11H2,1H3,(H,20,23)
InChIKeyVFZUKEZMKIHKQF-UHFFFAOYSA-N
XLogP1.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate (CID 66555226) is ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate is CCOC(=O)CN1CCOC(C(=O)NC2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate?
The InChIKey is VFZUKEZMKIHKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-2-24-17(22)11-21-3-4-25-16(10-21)19(23)20-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-16,18H,2-11H2,1H3,(H,20,23).
What are the key properties of ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate?
ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate has a molecular weight of 350.46 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetate is sourced from PubChem (CID 66555226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).