cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate

C22H25NO5 — CID 17128736

IUPACcyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
SMILESCOc1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25NO5/c1-26-18-11-13-19(14-12-18)27-15-21(24)23-17-9-7-16(8-10-17)22(25)28-20-5-3-2-4-6-20/h7-14,20H,2-6,15H2,1H3,(H,23,24)
InChIKeyLGHMWZFEWCFHHR-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.20
Rot. Bonds7

About cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate

cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate (PubChem CID 17128736) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
PubChem CID17128736
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namecyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
SMILESCOc1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25NO5/c1-26-18-11-13-19(14-12-18)27-15-21(24)23-17-9-7-16(8-10-17)22(25)28-20-5-3-2-4-6-20/h7-14,20H,2-6,15H2,1H3,(H,23,24)
InChIKeyLGHMWZFEWCFHHR-UHFFFAOYSA-N
XLogP4.20
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 2788654
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 17128702
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668
cyclohexyl 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201882
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
CID 17128650
cyclohexyl 4-[(2-phenylacetyl)amino]benzoate
CID 682571
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate (CID 17128736) is cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate is COc1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1.
What is the InChIKey of cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is LGHMWZFEWCFHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-26-18-11-13-19(14-12-18)27-15-21(24)23-17-9-7-16(8-10-17)22(25)28-20-5-3-2-4-6-20/h7-14,20H,2-6,15H2,1H3,(H,23,24).
What are the key properties of cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate?
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 383.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 17128736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).