cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate

C56H60N2O11 — CID 158092744

IUPACcyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(O)cc2)cc1.COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(OC3CCCCC3)cc2)cc1.OC1CCCCC1
InChIInChI=1S/C28H29NO5.C22H19NO5.C6H12O/c1-32-28(31)25-9-5-6-10-26(25)29-27(30)19-20-11-13-22(14-12-20)34-24-17-15-23(16-18-24)33-21-7-3-2-4-8-21;1-27-22(26)19-4-2-3-5-20(19)23-21(25)14-15-6-10-17(11-7-15)28-18-12-8-16(24)9-13-18;7-6-4-2-1-3-5-6/h5-6,9-18,21H,2-4,7-8,19H2,1H3,(H,29,30);2-13,24H,14H2,1H3,(H,23,25);6-7H,1-5H2
InChIKeyFOHNUUVIMXZOQO-UHFFFAOYSA-N
MW937.10 g/mol
LogP11.62
Rot. Bonds14

About cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate

cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate (PubChem CID 158092744) has the molecular formula C56H60N2O11 and a molecular weight of 937.10 g/mol. Its IUPAC name is cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate.

Molecular Properties

Compound Namecyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate
PubChem CID158092744
Molecular FormulaC56H60N2O11
Molecular Weight937.10 g/mol
Exact Mass936.42
IUPAC Namecyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(O)cc2)cc1.COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(OC3CCCCC3)cc2)cc1.OC1CCCCC1
InChIInChI=1S/C28H29NO5.C22H19NO5.C6H12O/c1-32-28(31)25-9-5-6-10-26(25)29-27(30)19-20-11-13-22(14-12-20)34-24-17-15-23(16-18-24)33-21-7-3-2-4-8-21;1-27-22(26)19-4-2-3-5-20(19)23-21(25)14-15-6-10-17(11-7-15)28-18-12-8-16(24)9-13-18;7-6-4-2-1-3-5-6/h5-6,9-18,21H,2-4,7-8,19H2,1H3,(H,29,30);2-13,24H,14H2,1H3,(H,23,25);6-7H,1-5H2
InChIKeyFOHNUUVIMXZOQO-UHFFFAOYSA-N
XLogP11.62
TPSA178.95 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.10
LogP ≤ 511.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

2-[[2-[4-[4-(5-methoxycyclooctyl)oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20781005
methyl 2-[[2-[4-(4-propan-2-yloxyphenoxy)phenyl]acetyl]amino]benzoate
CID 54475401
2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid
CID 22484932
2-[[2-[4-(6-hydroxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid;methyl 2-[[2-[4-(6-hydroxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoate
CID 160726685
2-[[2-[6-(4-cyclopentyloxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602350
2-[[2-[6-[4-(3-hydroxycyclohexyl)oxyphenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602156
2-[[2-[4-[4-[4-[(4-carboxybenzoyl)amino]cyclohexyl]oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20601867
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173
2-[[2-[4-[4-[4-(propylsulfonylamino)cyclohexyl]oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20601942
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
2-[[2-[4-[6-(4-aminocyclohexyl)oxynaphthalen-2-yl]oxyphenyl]acetyl]amino]benzoic acid
CID 22484871
2-[[2-[4-[4-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20601943

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate?
The IUPAC name of cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate (CID 158092744) is cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate.
What is the SMILES notation for cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate?
The canonical SMILES for cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(O)cc2)cc1.COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(OC3CCCCC3)cc2)cc1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate?
The InChIKey is FOHNUUVIMXZOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO5.C22H19NO5.C6H12O/c1-32-28(31)25-9-5-6-10-26(25)29-27(30)19-20-11-13-22(14-12-20)34-24-17-15-23(16-18-24)33-21-7-3-2-4-8-21;1-27-22(26)19-4-2-3-5-20(19)23-21(25)14-15-6-10-17(11-7-15)28-18-12-8-16(24)9-13-18;7-6-4-2-1-3-5-6/h5-6,9-18,21H,2-4,7-8,19H2,1H3,(H,29,30);2-13,24H,14H2,1H3,(H,23,25);6-7H,1-5H2.
What are the key properties of cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate?
cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate has a molecular weight of 937.10 g/mol, XLogP of 11.62, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate is sourced from PubChem (CID 158092744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).