(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate

C22H28FNO4 — CID 55309705

IUPAC(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOc1ccc(F)cc1COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H28FNO4/c1-27-19-3-2-18(23)7-17(19)13-28-21(26)12-24-20(25)11-22-8-14-4-15(9-22)6-16(5-14)10-22/h2-3,7,14-16H,4-6,8-13H2,1H3,(H,24,25)
InChIKeyHUFQJZPKZYJHEM-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.60
Rot. Bonds7

About (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate

(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 55309705) has the molecular formula C22H28FNO4 and a molecular weight of 389.47 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID55309705
Molecular FormulaC22H28FNO4
Molecular Weight389.47 g/mol
Exact Mass389.20
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOc1ccc(F)cc1COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H28FNO4/c1-27-19-3-2-18(23)7-17(19)13-28-21(26)12-24-20(25)11-22-8-14-4-15(9-22)6-16(5-14)10-22/h2-3,7,14-16H,4-6,8-13H2,1H3,(H,24,25)
InChIKeyHUFQJZPKZYJHEM-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755551
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 4790414
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 34779349
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360297
(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190646
N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9326362
2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755309
2-(1-adamantyl)-N-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 9221124
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360322
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
CID 94260078
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 55309705) is (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate is COc1ccc(F)cc1COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is HUFQJZPKZYJHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO4/c1-27-19-3-2-18(23)7-17(19)13-28-21(26)12-24-20(25)11-22-8-14-4-15(9-22)6-16(5-14)10-22/h2-3,7,14-16H,4-6,8-13H2,1H3,(H,24,25).
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate?
(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 389.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 55309705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).