9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one

C25H30N2O5 — CID 23656005

IUPAC9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one
SMILESCOc1ccc(N2CN(c3ccc(OC)cc3)CC3(C2)CC2(CCC3=O)OCCO2)cc1
InChIInChI=1S/C25H30N2O5/c1-29-21-7-3-19(4-8-21)26-16-24(15-25(12-11-23(24)28)31-13-14-32-25)17-27(18-26)20-5-9-22(30-2)10-6-20/h3-10H,11-18H2,1-2H3
InChIKeyBEMIZJCDUHIOSY-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.47
Rot. Bonds4

About 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one

9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one (PubChem CID 23656005) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one.

Molecular Properties

Compound Name9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one
PubChem CID23656005
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one
SMILESCOc1ccc(N2CN(c3ccc(OC)cc3)CC3(C2)CC2(CCC3=O)OCCO2)cc1
InChIInChI=1S/C25H30N2O5/c1-29-21-7-3-19(4-8-21)26-16-24(15-25(12-11-23(24)28)31-13-14-32-25)17-27(18-26)20-5-9-22(30-2)10-6-20/h3-10H,11-18H2,1-2H3
InChIKeyBEMIZJCDUHIOSY-UHFFFAOYSA-N
XLogP3.47
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one?
The IUPAC name of 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one (CID 23656005) is 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one.
What is the SMILES notation for 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one?
The canonical SMILES for 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one is COc1ccc(N2CN(c3ccc(OC)cc3)CC3(C2)CC2(CCC3=O)OCCO2)cc1.
What is the InChIKey of 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one?
The InChIKey is BEMIZJCDUHIOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-29-21-7-3-19(4-8-21)26-16-24(15-25(12-11-23(24)28)31-13-14-32-25)17-27(18-26)20-5-9-22(30-2)10-6-20/h3-10H,11-18H2,1-2H3.
What are the key properties of 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one?
9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one has a molecular weight of 438.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-bis(4-methoxyphenyl)-1,4-dioxa-9,11-diazadispiro[4.1.57.35]pentadecan-13-one is sourced from PubChem (CID 23656005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).