[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate

C17H26N2O4 — CID 3387074

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESCCNC(=O)NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O4/c1-2-18-16(22)19-14(20)10-23-15(21)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,2-10H2,1H3,(H2,18,19,20,22)
InChIKeyXXLRZCYMYIOAQU-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.98
Rot. Bonds5

About [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate (PubChem CID 3387074) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
PubChem CID3387074
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESCCNC(=O)NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O4/c1-2-18-16(22)19-14(20)10-23-15(21)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,2-10H2,1H3,(H2,18,19,20,22)
InChIKeyXXLRZCYMYIOAQU-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate (CID 3387074) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate is CCNC(=O)NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The InChIKey is XXLRZCYMYIOAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-2-18-16(22)19-14(20)10-23-15(21)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,2-10H2,1H3,(H2,18,19,20,22).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate has a molecular weight of 322.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1-adamantyl)acetate is sourced from PubChem (CID 3387074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).