ethyl N-acetyl-2-(1-adamantyl)ethanimidate

C16H25NO2 — CID 15506713

IUPACethyl N-acetyl-2-(1-adamantyl)ethanimidate
SMILESCCO/C(CC12CC3CC(CC(C3)C1)C2)=N\C(C)=O
InChIInChI=1S/C16H25NO2/c1-3-19-15(17-11(2)18)10-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,3-10H2,1-2H3/b17-15-
InChIKeyNUVYHLVNWXPBAR-ICFOKQHNSA-N
MW263.38 g/mol
LogP3.57
Rot. Bonds3

About ethyl N-acetyl-2-(1-adamantyl)ethanimidate

ethyl N-acetyl-2-(1-adamantyl)ethanimidate (PubChem CID 15506713) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl N-acetyl-2-(1-adamantyl)ethanimidate.

Molecular Properties

Compound Nameethyl N-acetyl-2-(1-adamantyl)ethanimidate
PubChem CID15506713
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl N-acetyl-2-(1-adamantyl)ethanimidate
SMILESCCO/C(CC12CC3CC(CC(C3)C1)C2)=N\C(C)=O
InChIInChI=1S/C16H25NO2/c1-3-19-15(17-11(2)18)10-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,3-10H2,1-2H3/b17-15-
InChIKeyNUVYHLVNWXPBAR-ICFOKQHNSA-N
XLogP3.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-adamantyl)propan-2-one;methane
CID 157057031
2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
CID 79673564
4-O-[2-(1-adamantyl)ethyl] 1-O-ethyl butanedioate
CID 91715229
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862
1-(1-adamantyl)hexan-2-one
CID 12619335
ethyl N-acetylethanimidate
CID 10011919
2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
CID 79989120
carbonic acid;1-(2-ethoxyethyl)adamantane
CID 70179289
2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid
CID 43169963
2-(1-adamantyl)-N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555837
ethyl (E)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-cyanoprop-2-enoate
CID 8811760
1-(1-adamantyl)nonan-2-one
CID 114966533

Frequently Asked Questions

What is the IUPAC name of ethyl N-acetyl-2-(1-adamantyl)ethanimidate?
The IUPAC name of ethyl N-acetyl-2-(1-adamantyl)ethanimidate (CID 15506713) is ethyl N-acetyl-2-(1-adamantyl)ethanimidate.
What is the SMILES notation for ethyl N-acetyl-2-(1-adamantyl)ethanimidate?
The canonical SMILES for ethyl N-acetyl-2-(1-adamantyl)ethanimidate is CCO/C(CC12CC3CC(CC(C3)C1)C2)=N\C(C)=O.
What is the InChIKey of ethyl N-acetyl-2-(1-adamantyl)ethanimidate?
The InChIKey is NUVYHLVNWXPBAR-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-19-15(17-11(2)18)10-16-7-12-4-13(8-16)6-14(5-12)9-16/h12-14H,3-10H2,1-2H3/b17-15-.
What are the key properties of ethyl N-acetyl-2-(1-adamantyl)ethanimidate?
ethyl N-acetyl-2-(1-adamantyl)ethanimidate has a molecular weight of 263.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-acetyl-2-(1-adamantyl)ethanimidate is sourced from PubChem (CID 15506713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).