(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate

C23H31NO4 — CID 7755551

IUPAC(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCCOc1ccccc1COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H31NO4/c1-2-27-20-6-4-3-5-19(20)15-28-22(26)14-24-21(25)13-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,2,7-15H2,1H3,(H,24,25)
InChIKeyXWWOAQMSZRENBQ-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.85
Rot. Bonds8

About (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate

(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 7755551) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID7755551
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCCOc1ccccc1COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H31NO4/c1-2-27-20-6-4-3-5-19(20)15-28-22(26)14-24-21(25)13-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,2,7-15H2,1H3,(H,24,25)
InChIKeyXWWOAQMSZRENBQ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309705
2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755309
2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
CID 55334349
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 4790414
(5-acetyl-2-ethoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 3358991
[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755317
[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755481
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360351

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 7755551) is (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate is CCOc1ccccc1COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is XWWOAQMSZRENBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-2-27-20-6-4-3-5-19(20)15-28-22(26)14-24-21(25)13-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,2,7-15H2,1H3,(H,24,25).
What are the key properties of (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 385.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 7755551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).