ethyl N-(3-ethyl-1-adamantyl)carbamate

C15H25NO2 — CID 2842965

IUPACethyl N-(3-ethyl-1-adamantyl)carbamate
SMILESCCOC(=O)NC12CC3CC(CC(CC)(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-3-14-6-11-5-12(7-14)9-15(8-11,10-14)16-13(17)18-4-2/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyKQFAELSJXQQXTK-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.48
Rot. Bonds3

About ethyl N-(3-ethyl-1-adamantyl)carbamate

ethyl N-(3-ethyl-1-adamantyl)carbamate (PubChem CID 2842965) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethyl N-(3-ethyl-1-adamantyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-ethyl-1-adamantyl)carbamate
PubChem CID2842965
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethyl N-(3-ethyl-1-adamantyl)carbamate
SMILESCCOC(=O)NC12CC3CC(CC(CC)(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-3-14-6-11-5-12(7-14)9-15(8-11,10-14)16-13(17)18-4-2/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyKQFAELSJXQQXTK-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-ethyl-1-adamantyl)carbamate?
The IUPAC name of ethyl N-(3-ethyl-1-adamantyl)carbamate (CID 2842965) is ethyl N-(3-ethyl-1-adamantyl)carbamate.
What is the SMILES notation for ethyl N-(3-ethyl-1-adamantyl)carbamate?
The canonical SMILES for ethyl N-(3-ethyl-1-adamantyl)carbamate is CCOC(=O)NC12CC3CC(CC(CC)(C3)C1)C2.
What is the InChIKey of ethyl N-(3-ethyl-1-adamantyl)carbamate?
The InChIKey is KQFAELSJXQQXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-14-6-11-5-12(7-14)9-15(8-11,10-14)16-13(17)18-4-2/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of ethyl N-(3-ethyl-1-adamantyl)carbamate?
ethyl N-(3-ethyl-1-adamantyl)carbamate has a molecular weight of 251.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-ethyl-1-adamantyl)carbamate is sourced from PubChem (CID 2842965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).