2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate

C23H31NO4 — CID 7755309

IUPAC2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCc1ccccc1OCCOC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H31NO4/c1-16-4-2-3-5-20(16)27-6-7-28-22(26)15-24-21(25)14-23-11-17-8-18(12-23)10-19(9-17)13-23/h2-5,17-19H,6-15H2,1H3,(H,24,25)
InChIKeyOKTYNDUJHYAHBV-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.64
Rot. Bonds8

About 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate

2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 7755309) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID7755309
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCc1ccccc1OCCOC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H31NO4/c1-16-4-2-3-5-20(16)27-6-7-28-22(26)15-24-21(25)14-23-11-17-8-18(12-23)10-19(9-17)13-23/h2-5,17-19H,6-15H2,1H3,(H,24,25)
InChIKeyOKTYNDUJHYAHBV-UHFFFAOYSA-N
XLogP3.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755551
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755481
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 4790414
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755342
[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755317
(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309705
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360322
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7603650
2-(1-adamantyl)-N'-[2-(2,3-dimethylphenoxy)acetyl]acetohydrazide
CID 8801829
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 34779349
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251664

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 7755309) is 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate is Cc1ccccc1OCCOC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is OKTYNDUJHYAHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-16-4-2-3-5-20(16)27-6-7-28-22(26)15-24-21(25)14-23-11-17-8-18(12-23)10-19(9-17)13-23/h2-5,17-19H,6-15H2,1H3,(H,24,25).
What are the key properties of 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 385.50 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 7755309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).