2-(1-adamantyl)-N-tert-butylacetamide

C16H27NO — CID 4653041

IUPAC2-(1-adamantyl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-15(2,3)17-14(18)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyWSEBBPYBPPBTPA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.51
Rot. Bonds2

About 2-(1-adamantyl)-N-tert-butylacetamide

2-(1-adamantyl)-N-tert-butylacetamide (PubChem CID 4653041) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-tert-butylacetamide
PubChem CID4653041
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(1-adamantyl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-15(2,3)17-14(18)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyWSEBBPYBPPBTPA-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.51
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-tert-butylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-tert-butylacetamide (CID 4653041) is 2-(1-adamantyl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-tert-butylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-tert-butylacetamide is CC(C)(C)NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-tert-butylacetamide?
The InChIKey is WSEBBPYBPPBTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)17-14(18)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-adamantyl)-N-tert-butylacetamide?
2-(1-adamantyl)-N-tert-butylacetamide has a molecular weight of 249.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-tert-butylacetamide is sourced from PubChem (CID 4653041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).