2-(1-adamantyl)ethyl N-ethylcarbamate

C15H25NO2 — CID 5173684

IUPAC2-(1-adamantyl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-2-16-14(17)18-4-3-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyHJOKNADPLBGQDY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.34
Rot. Bonds4

About 2-(1-adamantyl)ethyl N-ethylcarbamate

2-(1-adamantyl)ethyl N-ethylcarbamate (PubChem CID 5173684) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1-adamantyl)ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-(1-adamantyl)ethyl N-ethylcarbamate
PubChem CID5173684
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(1-adamantyl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-2-16-14(17)18-4-3-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyHJOKNADPLBGQDY-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)ethyl N-ethylcarbamate?
The IUPAC name of 2-(1-adamantyl)ethyl N-ethylcarbamate (CID 5173684) is 2-(1-adamantyl)ethyl N-ethylcarbamate.
What is the SMILES notation for 2-(1-adamantyl)ethyl N-ethylcarbamate?
The canonical SMILES for 2-(1-adamantyl)ethyl N-ethylcarbamate is CCNC(=O)OCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)ethyl N-ethylcarbamate?
The InChIKey is HJOKNADPLBGQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-16-14(17)18-4-3-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(1-adamantyl)ethyl N-ethylcarbamate?
2-(1-adamantyl)ethyl N-ethylcarbamate has a molecular weight of 251.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)ethyl N-ethylcarbamate is sourced from PubChem (CID 5173684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).