[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate

C34H57NO2 — CID 140571076

IUPAC[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(C2CCC(N(C3CCCCC3)C3CCC(C4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C34H57NO2/c1-25(2)34(36)37-33-23-17-29(18-24-33)28-15-21-32(22-16-28)35(30-11-7-4-8-12-30)31-19-13-27(14-20-31)26-9-5-3-6-10-26/h26-33H,1,3-24H2,2H3
InChIKeySXYCMHSVOMMUFJ-UHFFFAOYSA-N
MW511.84 g/mol
LogP9.00
Rot. Bonds7

About [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate

[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 140571076) has the molecular formula C34H57NO2 and a molecular weight of 511.84 g/mol. Its IUPAC name is [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate
PubChem CID140571076
Molecular FormulaC34H57NO2
Molecular Weight511.84 g/mol
Exact Mass511.44
IUPAC Name[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(C2CCC(N(C3CCCCC3)C3CCC(C4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C34H57NO2/c1-25(2)34(36)37-33-23-17-29(18-24-33)28-15-21-32(22-16-28)35(30-11-7-4-8-12-30)31-19-13-27(14-20-31)26-9-5-3-6-10-26/h26-33H,1,3-24H2,2H3
InChIKeySXYCMHSVOMMUFJ-UHFFFAOYSA-N
XLogP9.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.84
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate 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

[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
[4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate
CID 140571106
[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate
CID 140571130
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
bis(cyclohexyl 2-methylprop-2-enoate);terephthalic acid
CID 174502958

Frequently Asked Questions

What is the IUPAC name of [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate (CID 140571076) is [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(C2CCC(N(C3CCCCC3)C3CCC(C4CCCCC4)CC3)CC2)CC1.
What is the InChIKey of [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is SXYCMHSVOMMUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H57NO2/c1-25(2)34(36)37-33-23-17-29(18-24-33)28-15-21-32(22-16-28)35(30-11-7-4-8-12-30)31-19-13-27(14-20-31)26-9-5-3-6-10-26/h26-33H,1,3-24H2,2H3.
What are the key properties of [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate?
[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 511.84 g/mol, XLogP of 9.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140571076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).