N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide

C22H31NO3 — CID 35011100

IUPACN-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31NO3/c1-15-3-4-19(20(7-15)25-2)26-14-21(24)23-6-5-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-4,7,16-18H,5-6,8-14H2,1-2H3,(H,23,24)
InChIKeyIFZKWQULJQNNLC-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide

N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 35011100) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID35011100
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31NO3/c1-15-3-4-19(20(7-15)25-2)26-14-21(24)23-6-5-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-4,7,16-18H,5-6,8-14H2,1-2H3,(H,23,24)
InChIKeyIFZKWQULJQNNLC-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
CID 45347313
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 2921835
2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628343
N-cyclopropyl-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 18163671
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699567
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956644
N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 103876701
2-(2-methoxy-4-methylphenoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 86930066
N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 3901343
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 35011100) is N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is IFZKWQULJQNNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-15-3-4-19(20(7-15)25-2)26-14-21(24)23-6-5-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-4,7,16-18H,5-6,8-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 357.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 35011100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).