N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide

C20H27NO2 — CID 2969038

IUPACN-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)COc1ccccc1
InChIInChI=1S/C20H27NO2/c1-21(19(22)13-23-18-5-3-2-4-6-18)14-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,15-17H,7-14H2,1H3
InChIKeyFJOWOYGTXWJRRB-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.74
Rot. Bonds5

About N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide

N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide (PubChem CID 2969038) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide
PubChem CID2969038
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)COc1ccccc1
InChIInChI=1S/C20H27NO2/c1-21(19(22)13-23-18-5-3-2-4-6-18)14-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,15-17H,7-14H2,1H3
InChIKeyFJOWOYGTXWJRRB-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide (CID 2969038) is N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COc1ccccc1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide?
The InChIKey is FJOWOYGTXWJRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-21(19(22)13-23-18-5-3-2-4-6-18)14-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,15-17H,7-14H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide?
N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide has a molecular weight of 313.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide is sourced from PubChem (CID 2969038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).