N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide

C20H27NO2 — CID 801398

IUPACN-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide
SMILESCC1(CNC(=O)COc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H27NO2/c1-20(16-8-14-7-15(10-16)11-17(20)9-14)13-21-19(22)12-23-18-5-3-2-4-6-18/h2-6,14-17H,7-13H2,1H3,(H,21,22)
InChIKeySLIPFVLGUDVGIB-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.64
Rot. Bonds5

About N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide

N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide (PubChem CID 801398) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide
PubChem CID801398
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide
SMILESCC1(CNC(=O)COc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H27NO2/c1-20(16-8-14-7-15(10-16)11-17(20)9-14)13-21-19(22)12-23-18-5-3-2-4-6-18/h2-6,14-17H,7-13H2,1H3,(H,21,22)
InChIKeySLIPFVLGUDVGIB-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 729861
4-[(2-Methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide
CID 11552169
4-[[2-(4-Methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 11552781
N-(1-Adamantyl)-2-phenoxyacetamide
CID 4042330
2-phenoxy-N-(2-phenylethyl)acetamide
CID 309559
(1s,3r,4s,5s,7s)-4-{[2-(4-Methoxyphenoxy)-2-Methylpropanoyl]amino}adamantane-1-Carboxamide
CID 15942677
Adamantane ether 6
CID 23646480
Adamantane ether 15
CID 23646485
2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide hydrochloride
CID 2882841
N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide
CID 2953548

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide (CID 801398) is N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide is CC1(CNC(=O)COc2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide?
The InChIKey is SLIPFVLGUDVGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-20(16-8-14-7-15(10-16)11-17(20)9-14)13-21-19(22)12-23-18-5-3-2-4-6-18/h2-6,14-17H,7-13H2,1H3,(H,21,22).
What are the key properties of N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide?
N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide has a molecular weight of 313.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 801398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).