2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide

C19H31NO2 — CID 46987344

IUPAC2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide
SMILESCCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCOCC1
InChIInChI=1S/C19H31NO2/c1-2-20(17-3-5-22-6-4-17)18(21)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3
InChIKeyFTGFDLNJSKKZBH-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.62
Rot. Bonds4

About 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide

2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide (PubChem CID 46987344) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide
PubChem CID46987344
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide
SMILESCCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCOCC1
InChIInChI=1S/C19H31NO2/c1-2-20(17-3-5-22-6-4-17)18(21)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3
InChIKeyFTGFDLNJSKKZBH-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide (CID 46987344) is 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide is CCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCOCC1.
What is the InChIKey of 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide?
The InChIKey is FTGFDLNJSKKZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-20(17-3-5-22-6-4-17)18(21)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3.
What are the key properties of 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide?
2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide has a molecular weight of 305.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-ethyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 46987344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).