2-(1-adamantyl)-N-cyclohexylacetamide

C18H29NO — CID 2829888

IUPAC2-(1-adamantyl)-N-cyclohexylacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCCCC1
InChIInChI=1S/C18H29NO/c20-17(19-16-4-2-1-3-5-16)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12H2,(H,19,20)
InChIKeyQLPOHXAZUKVWMR-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds3

About 2-(1-adamantyl)-N-cyclohexylacetamide

2-(1-adamantyl)-N-cyclohexylacetamide (PubChem CID 2829888) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-cyclohexylacetamide
PubChem CID2829888
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(1-adamantyl)-N-cyclohexylacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCCCC1
InChIInChI=1S/C18H29NO/c20-17(19-16-4-2-1-3-5-16)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12H2,(H,19,20)
InChIKeyQLPOHXAZUKVWMR-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-cyclohexylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-cyclohexylacetamide (CID 2829888) is 2-(1-adamantyl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-cyclohexylacetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCCCC1.
What is the InChIKey of 2-(1-adamantyl)-N-cyclohexylacetamide?
The InChIKey is QLPOHXAZUKVWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c20-17(19-16-4-2-1-3-5-16)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12H2,(H,19,20).
What are the key properties of 2-(1-adamantyl)-N-cyclohexylacetamide?
2-(1-adamantyl)-N-cyclohexylacetamide has a molecular weight of 275.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-cyclohexylacetamide is sourced from PubChem (CID 2829888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).