4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane

C38H67N3O6 — CID 129212726

IUPAC4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane
SMILESCON1C(C)(C)CCC(Oc2ccc(OC3CCC(C)(C)N(O)C(C)(C)C3)c(OC3CCC(C)(C)N(OC)C(C)(C)C3)c2)CC1(C)C
InChIInChI=1S/C38H67N3O6/c1-33(2)20-17-29(24-36(7,8)39(33)42)46-31-16-15-27(45-28-18-21-34(3,4)40(43-13)37(9,10)25-28)23-32(31)47-30-19-22-35(5,6)41(44-14)38(11,12)26-30/h15-16,23,28-30,42H,17-22,24-26H2,1-14H3
InChIKeyYNDAMAUXQWFURF-UHFFFAOYSA-N
MW661.97 g/mol
LogP8.57
Rot. Bonds8

About 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane

4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane (PubChem CID 129212726) has the molecular formula C38H67N3O6 and a molecular weight of 661.97 g/mol. Its IUPAC name is 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane.

Molecular Properties

Compound Name4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane
PubChem CID129212726
Molecular FormulaC38H67N3O6
Molecular Weight661.97 g/mol
Exact Mass661.50
IUPAC Name4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane
SMILESCON1C(C)(C)CCC(Oc2ccc(OC3CCC(C)(C)N(O)C(C)(C)C3)c(OC3CCC(C)(C)N(OC)C(C)(C)C3)c2)CC1(C)C
InChIInChI=1S/C38H67N3O6/c1-33(2)20-17-29(24-36(7,8)39(33)42)46-31-16-15-27(45-28-18-21-34(3,4)40(43-13)37(9,10)25-28)23-32(31)47-30-19-22-35(5,6)41(44-14)38(11,12)26-30/h15-16,23,28-30,42H,17-22,24-26H2,1-14H3
InChIKeyYNDAMAUXQWFURF-UHFFFAOYSA-N
XLogP8.57
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.97
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane?
The IUPAC name of 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane (CID 129212726) is 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane.
What is the SMILES notation for 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane?
The canonical SMILES for 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane is CON1C(C)(C)CCC(Oc2ccc(OC3CCC(C)(C)N(O)C(C)(C)C3)c(OC3CCC(C)(C)N(OC)C(C)(C)C3)c2)CC1(C)C.
What is the InChIKey of 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane?
The InChIKey is YNDAMAUXQWFURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H67N3O6/c1-33(2)20-17-29(24-36(7,8)39(33)42)46-31-16-15-27(45-28-18-21-34(3,4)40(43-13)37(9,10)25-28)23-32(31)47-30-19-22-35(5,6)41(44-14)38(11,12)26-30/h15-16,23,28-30,42H,17-22,24-26H2,1-14H3.
What are the key properties of 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane?
4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane has a molecular weight of 661.97 g/mol, XLogP of 8.57, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl)oxy-5-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl)oxyphenoxy]-1-methoxy-2,2,7,7-tetramethylazepane is sourced from PubChem (CID 129212726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).