[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate

C33H55NO3 — CID 140571130

IUPAC[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(C2CCC(N(C3CCCCC3)C3CCC(OC4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C33H55NO3/c1-2-33(35)37-32-21-15-26(16-22-32)25-13-17-28(18-14-25)34(27-9-5-3-6-10-27)29-19-23-31(24-20-29)36-30-11-7-4-8-12-30/h2,25-32H,1,3-24H2
InChIKeyUAWSLUXLJOCKPL-UHFFFAOYSA-N
MW513.81 g/mol
LogP8.13
Rot. Bonds8

About [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate

[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate (PubChem CID 140571130) has the molecular formula C33H55NO3 and a molecular weight of 513.81 g/mol. Its IUPAC name is [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate
PubChem CID140571130
Molecular FormulaC33H55NO3
Molecular Weight513.81 g/mol
Exact Mass513.42
IUPAC Name[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(C2CCC(N(C3CCCCC3)C3CCC(OC4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C33H55NO3/c1-2-33(35)37-32-21-15-26(16-22-32)25-13-17-28(18-14-25)34(27-9-5-3-6-10-27)29-19-23-31(24-20-29)36-30-11-7-4-8-12-30/h2,25-32H,1,3-24H2
InChIKeyUAWSLUXLJOCKPL-UHFFFAOYSA-N
XLogP8.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.81
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate with MolForge

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Related Compounds

cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate
CID 140571076
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl prop-2-enoate
CID 20727671
CID 159294157
CID 159294157
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
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
[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
CID 135259704
(2,6-dimethylcyclohexyl) prop-2-enoate
CID 67392274
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
sodium;dicyclohexyl (Z)-but-2-enedioate;hydride
CID 174767941
N,N-dicyclohexyl-4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexan-1-amine
CID 140503095

Frequently Asked Questions

What is the IUPAC name of [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate?
The IUPAC name of [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate (CID 140571130) is [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate.
What is the SMILES notation for [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate?
The canonical SMILES for [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate is C=CC(=O)OC1CCC(C2CCC(N(C3CCCCC3)C3CCC(OC4CCCCC4)CC3)CC2)CC1.
What is the InChIKey of [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate?
The InChIKey is UAWSLUXLJOCKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55NO3/c1-2-33(35)37-32-21-15-26(16-22-32)25-13-17-28(18-14-25)34(27-9-5-3-6-10-27)29-19-23-31(24-20-29)36-30-11-7-4-8-12-30/h2,25-32H,1,3-24H2.
What are the key properties of [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate?
[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate has a molecular weight of 513.81 g/mol, XLogP of 8.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate is sourced from PubChem (CID 140571130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).