1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine

C38H47N3O4 — CID 67640158

IUPAC1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine
SMILESCCCCCCN(NCCOc1ncccc1OC)C1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1
InChIInChI=1S/C38H47N3O4/c1-3-4-5-12-25-41(40-24-26-43-38-36(42-2)18-13-23-39-38)33-20-21-34-32(27-33)19-22-35(44-28-30-14-8-6-9-15-30)37(34)45-29-31-16-10-7-11-17-31/h6-11,13-19,22-23,33,40H,3-5,12,20-21,24-29H2,1-2H3
InChIKeyNKEDJSMUWHTGGX-UHFFFAOYSA-N
MW609.81 g/mol
LogP7.57
Rot. Bonds18

About 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine

1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine (PubChem CID 67640158) has the molecular formula C38H47N3O4 and a molecular weight of 609.81 g/mol. Its IUPAC name is 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine.

Molecular Properties

Compound Name1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine
PubChem CID67640158
Molecular FormulaC38H47N3O4
Molecular Weight609.81 g/mol
Exact Mass609.36
IUPAC Name1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine
SMILESCCCCCCN(NCCOc1ncccc1OC)C1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1
InChIInChI=1S/C38H47N3O4/c1-3-4-5-12-25-41(40-24-26-43-38-36(42-2)18-13-23-39-38)33-20-21-34-32(27-33)19-22-35(44-28-30-14-8-6-9-15-30)37(34)45-29-31-16-10-7-11-17-31/h6-11,13-19,22-23,33,40H,3-5,12,20-21,24-29H2,1-2H3
InChIKeyNKEDJSMUWHTGGX-UHFFFAOYSA-N
XLogP7.57
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.81
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine?
The IUPAC name of 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine (CID 67640158) is 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine.
What is the SMILES notation for 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine?
The canonical SMILES for 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine is CCCCCCN(NCCOc1ncccc1OC)C1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1.
What is the InChIKey of 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine?
The InChIKey is NKEDJSMUWHTGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N3O4/c1-3-4-5-12-25-41(40-24-26-43-38-36(42-2)18-13-23-39-38)33-20-21-34-32(27-33)19-22-35(44-28-30-14-8-6-9-15-30)37(34)45-29-31-16-10-7-11-17-31/h6-11,13-19,22-23,33,40H,3-5,12,20-21,24-29H2,1-2H3.
What are the key properties of 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine?
1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine has a molecular weight of 609.81 g/mol, XLogP of 7.57, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-hexyl-2-[2-[(3-methoxy-2-pyridinyl)oxy]ethyl]hydrazine is sourced from PubChem (CID 67640158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).