[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate

C23H27NO5 — CID 162747260

IUPAC[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate
SMILESCOc1cc(CC(=O)Nc2cccc(C3CCC(OC(C)=O)CC3)c2)ccc1O
InChIInChI=1S/C23H27NO5/c1-15(25)29-20-9-7-17(8-10-20)18-4-3-5-19(14-18)24-23(27)13-16-6-11-21(26)22(12-16)28-2/h3-6,11-12,14,17,20,26H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyJTNPOEQDEYARFM-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.17
Rot. Bonds6

About [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate

[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate (PubChem CID 162747260) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate.

Molecular Properties

Compound Name[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate
PubChem CID162747260
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate
SMILESCOc1cc(CC(=O)Nc2cccc(C3CCC(OC(C)=O)CC3)c2)ccc1O
InChIInChI=1S/C23H27NO5/c1-15(25)29-20-9-7-17(8-10-20)18-4-3-5-19(14-18)24-23(27)13-16-6-11-21(26)22(12-16)28-2/h3-6,11-12,14,17,20,26H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyJTNPOEQDEYARFM-UHFFFAOYSA-N
XLogP4.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate with MolForge

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Related Compounds

[4-[2-[3-(4-butylcyclohexyl)anilino]-2-oxoethyl]-2-methoxyphenyl] acetate
CID 142193429
2-(4-hydroxy-3-methoxyphenyl)-N-[3-[(Z)-2-phenylethenyl]phenyl]acetamide
CID 58679871
N-[3-(2-cyclohexylethyl)phenyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22019671
2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide
CID 22019572
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide
CID 172895402
2-(3-cyclopropylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166236800
N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
CID 22019592
2-(4-hydroxy-3-methoxyphenyl)-N-(4-iodophenyl)acetamide
CID 22019683
N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
CID 142193396
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 172895401
[3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate
CID 168859417
N-(3-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 43082666

Frequently Asked Questions

What is the IUPAC name of [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate?
The IUPAC name of [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate (CID 162747260) is [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate.
What is the SMILES notation for [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate?
The canonical SMILES for [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate is COc1cc(CC(=O)Nc2cccc(C3CCC(OC(C)=O)CC3)c2)ccc1O.
What is the InChIKey of [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate?
The InChIKey is JTNPOEQDEYARFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-15(25)29-20-9-7-17(8-10-20)18-4-3-5-19(14-18)24-23(27)13-16-6-11-21(26)22(12-16)28-2/h3-6,11-12,14,17,20,26H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate?
[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate has a molecular weight of 397.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate is sourced from PubChem (CID 162747260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).