2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate

C58H100N2O8 — CID 140511070

IUPAC2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate
SMILESO=C(CCC1CCC(N(C2CCC(OC3CCCCC3)CC2)C2CCC(C3CCC(N(C4CCC(CCC(=O)OCCO)CC4)C4CCC(OC5CCCCC5)CC4)CC3)CC2)CC1)OCCO
InChIInChI=1S/C58H100N2O8/c61-39-41-65-57(63)37-15-43-11-21-47(22-12-43)59(51-29-33-55(34-30-51)67-53-7-3-1-4-8-53)49-25-17-45(18-26-49)46-19-27-50(28-20-46)60(48-23-13-44(14-24-48)16-38-58(64)66-42-40-62)52-31-35-56(36-32-52)68-54-9-5-2-6-10-54/h43-56,61-62H,1-42H2
InChIKeyUKGNNQTVCIDJOU-UHFFFAOYSA-N
MW953.44 g/mol
LogP11.78
Rot. Bonds21

About 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate

2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate (PubChem CID 140511070) has the molecular formula C58H100N2O8 and a molecular weight of 953.44 g/mol. Its IUPAC name is 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate
PubChem CID140511070
Molecular FormulaC58H100N2O8
Molecular Weight953.44 g/mol
Exact Mass952.75
IUPAC Name2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate
SMILESO=C(CCC1CCC(N(C2CCC(OC3CCCCC3)CC2)C2CCC(C3CCC(N(C4CCC(CCC(=O)OCCO)CC4)C4CCC(OC5CCCCC5)CC4)CC3)CC2)CC1)OCCO
InChIInChI=1S/C58H100N2O8/c61-39-41-65-57(63)37-15-43-11-21-47(22-12-43)59(51-29-33-55(34-30-51)67-53-7-3-1-4-8-53)49-25-17-45(18-26-49)46-19-27-50(28-20-46)60(48-23-13-44(14-24-48)16-38-58(64)66-42-40-62)52-31-35-56(36-32-52)68-54-9-5-2-6-10-54/h43-56,61-62H,1-42H2
InChIKeyUKGNNQTVCIDJOU-UHFFFAOYSA-N
XLogP11.78
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.44
LogP ≤ 511.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol
CID 140532940
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831
propyl 3-cyclopentylpropanoate
CID 43389546
cyclopentyl 3-cyclopentylpropanoate
CID 534685
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
cyclopropyl 3-cyclopropylpropanoate
CID 175261469
propyl 3-(4-ethylcyclohexyl)propanoate
CID 59863738
2-cyclopentylethyl butanoate
CID 142409115
2-[2-[2-(3-cyclohexylpropanoyloxy)ethoxy]phenoxy]ethyl 3-cyclohexylpropanoate
CID 160894187
(4-cyclohexyloxycyclohexyl)methanamine
CID 83835102
2-cyclohexylethyl 2-aminoacetate
CID 54016535
bis(2-hydroxyethyl) heptanedioate
CID 58519890

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate?
The IUPAC name of 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate (CID 140511070) is 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate?
The canonical SMILES for 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate is O=C(CCC1CCC(N(C2CCC(OC3CCCCC3)CC2)C2CCC(C3CCC(N(C4CCC(CCC(=O)OCCO)CC4)C4CCC(OC5CCCCC5)CC4)CC3)CC2)CC1)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate?
The InChIKey is UKGNNQTVCIDJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H100N2O8/c61-39-41-65-57(63)37-15-43-11-21-47(22-12-43)59(51-29-33-55(34-30-51)67-53-7-3-1-4-8-53)49-25-17-45(18-26-49)46-19-27-50(28-20-46)60(48-23-13-44(14-24-48)16-38-58(64)66-42-40-62)52-31-35-56(36-32-52)68-54-9-5-2-6-10-54/h43-56,61-62H,1-42H2.
What are the key properties of 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate?
2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate has a molecular weight of 953.44 g/mol, XLogP of 11.78, 21 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate is sourced from PubChem (CID 140511070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).