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

C20H27NO2 — CID 2921835

IUPACN-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2/c22-19(14-23-18-4-2-1-3-5-18)21-7-6-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-14H2,(H,21,22)
InChIKeyATYVPNBXCFZUTP-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.79
Rot. Bonds6

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

N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide (PubChem CID 2921835) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
PubChem CID2921835
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2/c22-19(14-23-18-4-2-1-3-5-18)21-7-6-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-14H2,(H,21,22)
InChIKeyATYVPNBXCFZUTP-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35011100
N-(1-adamantylmethyl)-3-phenoxypropanamide
CID 26202952
2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide
CID 108539727
N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
CID 23766189
N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 4805369
N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide
CID 108542343
[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
CID 7751740
N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
CID 7502123
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide
CID 23968567
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide (CID 2921835) is N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide?
The InChIKey is ATYVPNBXCFZUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c22-19(14-23-18-4-2-1-3-5-18)21-7-6-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-14H2,(H,21,22).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide?
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide has a molecular weight of 313.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 2921835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).