N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide

C21H29NO4 — CID 3901343

IUPACN-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO4/c1-13-4-17(24-2)20(18(5-13)25-3)26-12-19(23)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,14-16H,6-12H2,1-3H3,(H,22,23)
InChIKeyIHHZVIKRWQDCIX-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.48
Rot. Bonds6

About N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide

N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide (PubChem CID 3901343) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
PubChem CID3901343
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC NameN-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO4/c1-13-4-17(24-2)20(18(5-13)25-3)26-12-19(23)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,14-16H,6-12H2,1-3H3,(H,22,23)
InChIKeyIHHZVIKRWQDCIX-UHFFFAOYSA-N
XLogP3.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7707186
N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611574
N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
CID 5022507
[2-(1-adamantylamino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811763
N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7945278
[2-(1-adamantylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903727
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
[2-(1-adamantylamino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805268
N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35011100
[2-(1-adamantylamino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7414375
N-(1-adamantyl)-2-(2-phenylphenoxy)acetamide
CID 7732550
[2-(1-adamantylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535361

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide (CID 3901343) is N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide is COc1cc(C)cc(OC)c1OCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
The InChIKey is IHHZVIKRWQDCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-13-4-17(24-2)20(18(5-13)25-3)26-12-19(23)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,14-16H,6-12H2,1-3H3,(H,22,23).
What are the key properties of N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide?
N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 3901343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).