4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide

C43H44Cl4N2O6 — CID 91501683

IUPAC4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide
SMILESCCc1c(Cl)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1Cl.Cc1ccc(OCCCNC(=O)c2cc(OC3CCCCC3)c3ccccc3c2O)c(C)c1
InChIInChI=1S/C28H33NO4.C15H11Cl4NO2/c1-19-13-14-25(20(2)17-19)32-16-8-15-29-28(31)24-18-26(33-21-9-4-3-5-10-21)22-11-6-7-12-23(22)27(24)30;1-2-10-12(18)6-11(14(21)13(10)19)15(22)20-9-4-7(16)3-8(17)5-9/h6-7,11-14,17-18,21,30H,3-5,8-10,15-16H2,1-2H3,(H,29,31);3-6,21H,2H2,1H3,(H,20,22)
InChIKeyYYOLSBFMDIBRSH-UHFFFAOYSA-N
MW826.64 g/mol
LogP11.89
Rot. Bonds11

About 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide

4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide (PubChem CID 91501683) has the molecular formula C43H44Cl4N2O6 and a molecular weight of 826.64 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide
PubChem CID91501683
Molecular FormulaC43H44Cl4N2O6
Molecular Weight826.64 g/mol
Exact Mass824.20
IUPAC Name4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide
SMILESCCc1c(Cl)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1Cl.Cc1ccc(OCCCNC(=O)c2cc(OC3CCCCC3)c3ccccc3c2O)c(C)c1
InChIInChI=1S/C28H33NO4.C15H11Cl4NO2/c1-19-13-14-25(20(2)17-19)32-16-8-15-29-28(31)24-18-26(33-21-9-4-3-5-10-21)22-11-6-7-12-23(22)27(24)30;1-2-10-12(18)6-11(14(21)13(10)19)15(22)20-9-4-7(16)3-8(17)5-9/h6-7,11-14,17-18,21,30H,3-5,8-10,15-16H2,1-2H3,(H,29,31);3-6,21H,2H2,1H3,(H,20,22)
InChIKeyYYOLSBFMDIBRSH-UHFFFAOYSA-N
XLogP11.89
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.64
LogP ≤ 511.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide?
The IUPAC name of 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide (CID 91501683) is 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide.
What is the SMILES notation for 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide?
The canonical SMILES for 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide is CCc1c(Cl)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1Cl.Cc1ccc(OCCCNC(=O)c2cc(OC3CCCCC3)c3ccccc3c2O)c(C)c1.
What is the InChIKey of 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide?
The InChIKey is YYOLSBFMDIBRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4.C15H11Cl4NO2/c1-19-13-14-25(20(2)17-19)32-16-8-15-29-28(31)24-18-26(33-21-9-4-3-5-10-21)22-11-6-7-12-23(22)27(24)30;1-2-10-12(18)6-11(14(21)13(10)19)15(22)20-9-4-7(16)3-8(17)5-9/h6-7,11-14,17-18,21,30H,3-5,8-10,15-16H2,1-2H3,(H,29,31);3-6,21H,2H2,1H3,(H,20,22).
What are the key properties of 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide?
4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide has a molecular weight of 826.64 g/mol, XLogP of 11.89, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-[3-(2,4-dimethylphenoxy)propyl]-1-hydroxynaphthalene-2-carboxamide;3,5-dichloro-N-(3,5-dichlorophenyl)-4-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 91501683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).