N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide

C20H27NO2 — CID 4805369

IUPACN-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2/c1-14(21-19(22)13-23-18-5-3-2-4-6-18)20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,14-17H,7-13H2,1H3,(H,21,22)
InChIKeySPMHUSDGKDKNIV-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.79
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide

N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide (PubChem CID 4805369) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
PubChem CID4805369
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2/c1-14(21-19(22)13-23-18-5-3-2-4-6-18)20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,14-17H,7-13H2,1H3,(H,21,22)
InChIKeySPMHUSDGKDKNIV-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931345
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7695372
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7502158
2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7867259
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide
CID 7644075
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 16540227
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-phenylbenzoate
CID 7229133
N-[1-(1-adamantyl)ethylcarbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4080855
N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355818
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide (CID 4805369) is N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide is CC(NC(=O)COc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide?
The InChIKey is SPMHUSDGKDKNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-14(21-19(22)13-23-18-5-3-2-4-6-18)20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,14-17H,7-13H2,1H3,(H,21,22).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide?
N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide has a molecular weight of 313.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 4805369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).