[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane

C151H276N10O18 — CID 158784509

IUPAC[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CCC(C2CCC(C3CCC(OC(=O)COCOc4cc(N)cc(N)c4)CC3)CC2)CC1.CCC1CCC(C2CCC(C3CCC(OCOc4ccc(N)cc4N)CC3)CC2)CC1.CCC1CCC(C2CCC(OC(=O)COCOc3cc(N)cc(N)c3)CC2)CC1.CCC1CCC(C2CCC(c3ccc(OC(=O)COCOc4cc(N)cc(N)c4)cc3)CC2)CC1.CCC1CCC(c2ccc(OC(=O)COCOc3cc(N)cc(N)c3)cc2)CC1
InChIInChI=1S/C29H46N2O4.C29H40N2O4.C27H44N2O2.C23H36N2O4.C23H30N2O4.20CH4/c2*1-2-20-3-5-21(6-4-20)22-7-9-23(10-8-22)24-11-13-27(14-12-24)35-29(32)18-33-19-34-28-16-25(30)15-26(31)17-28;1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-14-25(15-12-23)30-18-31-27-16-13-24(28)17-26(27)29;2*1-2-16-3-5-17(6-4-16)18-7-9-21(10-8-18)29-23(26)14-27-15-28-22-12-19(24)11-20(25)13-22;;;;;;;;;;;;;;;;;;;;/h15-17,20-24,27H,2-14,18-19,30-31H2,1H3;11-17,20-23H,2-10,18-19,30-31H2,1H3;13,16-17,19-23,25H,2-12,14-15,18,28-29H2,1H3;11-13,16-18,21H,2-10,14-15,24-25H2,1H3;7-13,16-17H,2-6,14-15,24-25H2,1H3;20*1H4
InChIKeyIRMUFBDLJACMOG-UHFFFAOYSA-N
MW2519.92 g/mol
LogP41.15
Rot. Bonds41

About [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane

[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane (PubChem CID 158784509) has the molecular formula C151H276N10O18 and a molecular weight of 2519.92 g/mol. Its IUPAC name is [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane.

Molecular Properties

Compound Name[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane
PubChem CID158784509
Molecular FormulaC151H276N10O18
Molecular Weight2519.92 g/mol
Exact Mass2518.10
IUPAC Name[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CCC(C2CCC(C3CCC(OC(=O)COCOc4cc(N)cc(N)c4)CC3)CC2)CC1.CCC1CCC(C2CCC(C3CCC(OCOc4ccc(N)cc4N)CC3)CC2)CC1.CCC1CCC(C2CCC(OC(=O)COCOc3cc(N)cc(N)c3)CC2)CC1.CCC1CCC(C2CCC(c3ccc(OC(=O)COCOc4cc(N)cc(N)c4)cc3)CC2)CC1.CCC1CCC(c2ccc(OC(=O)COCOc3cc(N)cc(N)c3)cc2)CC1
InChIInChI=1S/C29H46N2O4.C29H40N2O4.C27H44N2O2.C23H36N2O4.C23H30N2O4.20CH4/c2*1-2-20-3-5-21(6-4-20)22-7-9-23(10-8-22)24-11-13-27(14-12-24)35-29(32)18-33-19-34-28-16-25(30)15-26(31)17-28;1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-14-25(15-12-23)30-18-31-27-16-13-24(28)17-26(27)29;2*1-2-16-3-5-17(6-4-16)18-7-9-21(10-8-18)29-23(26)14-27-15-28-22-12-19(24)11-20(25)13-22;;;;;;;;;;;;;;;;;;;;/h15-17,20-24,27H,2-14,18-19,30-31H2,1H3;11-17,20-23H,2-10,18-19,30-31H2,1H3;13,16-17,19-23,25H,2-12,14-15,18,28-29H2,1H3;11-13,16-18,21H,2-10,14-15,24-25H2,1H3;7-13,16-17H,2-6,14-15,24-25H2,1H3;20*1H4
InChIKeyIRMUFBDLJACMOG-UHFFFAOYSA-N
XLogP41.15
TPSA457.70 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds41
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002519.92
LogP ≤ 541.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane?
The IUPAC name of [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane (CID 158784509) is [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane.
What is the SMILES notation for [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane?
The canonical SMILES for [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CCC(C2CCC(C3CCC(OC(=O)COCOc4cc(N)cc(N)c4)CC3)CC2)CC1.CCC1CCC(C2CCC(C3CCC(OCOc4ccc(N)cc4N)CC3)CC2)CC1.CCC1CCC(C2CCC(OC(=O)COCOc3cc(N)cc(N)c3)CC2)CC1.CCC1CCC(C2CCC(c3ccc(OC(=O)COCOc4cc(N)cc(N)c4)cc3)CC2)CC1.CCC1CCC(c2ccc(OC(=O)COCOc3cc(N)cc(N)c3)cc2)CC1.
What is the InChIKey of [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane?
The InChIKey is IRMUFBDLJACMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N2O4.C29H40N2O4.C27H44N2O2.C23H36N2O4.C23H30N2O4.20CH4/c2*1-2-20-3-5-21(6-4-20)22-7-9-23(10-8-22)24-11-13-27(14-12-24)35-29(32)18-33-19-34-28-16-25(30)15-26(31)17-28;1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-14-25(15-12-23)30-18-31-27-16-13-24(28)17-26(27)29;2*1-2-16-3-5-17(6-4-16)18-7-9-21(10-8-18)29-23(26)14-27-15-28-22-12-19(24)11-20(25)13-22;;;;;;;;;;;;;;;;;;;;/h15-17,20-24,27H,2-14,18-19,30-31H2,1H3;11-17,20-23H,2-10,18-19,30-31H2,1H3;13,16-17,19-23,25H,2-12,14-15,18,28-29H2,1H3;11-13,16-18,21H,2-10,14-15,24-25H2,1H3;7-13,16-17H,2-6,14-15,24-25H2,1H3;20*1H4.
What are the key properties of [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane?
[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane has a molecular weight of 2519.92 g/mol, XLogP of 41.15, 41 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxymethoxy]benzene-1,3-diamine;[4-(4-ethylcyclohexyl)cyclohexyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;[4-(4-ethylcyclohexyl)phenyl] 2-[(3,5-diaminophenoxy)methoxy]acetate;methane is sourced from PubChem (CID 158784509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).