N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide

C26H31NO — CID 23766189

IUPACN-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO/c28-25(24(22-7-3-1-4-8-22)23-9-5-2-6-10-23)27-12-11-26-16-19-13-20(17-26)15-21(14-19)18-26/h1-10,19-21,24H,11-18H2,(H,27,28)
InChIKeyXVABSRFBVNLXDC-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.54
Rot. Bonds6

About N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide

N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide (PubChem CID 23766189) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
PubChem CID23766189
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC NameN-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO/c28-25(24(22-7-3-1-4-8-22)23-9-5-2-6-10-23)27-12-11-26-16-19-13-20(17-26)15-21(14-19)18-26/h1-10,19-21,24H,11-18H2,(H,27,28)
InChIKeyXVABSRFBVNLXDC-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide (CID 23766189) is N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide?
The InChIKey is XVABSRFBVNLXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO/c28-25(24(22-7-3-1-4-8-22)23-9-5-2-6-10-23)27-12-11-26-16-19-13-20(17-26)15-21(14-19)18-26/h1-10,19-21,24H,11-18H2,(H,27,28).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide?
N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide has a molecular weight of 373.54 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 23766189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).