4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene

C24H23NO2 — CID 68764179

IUPAC4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
SMILESCOc1ccc(CN2CC3c4ccccc4Oc4ccccc4C3C2)cc1
InChIInChI=1S/C24H23NO2/c1-26-18-12-10-17(11-13-18)14-25-15-21-19-6-2-4-8-23(19)27-24-9-5-3-7-20(24)22(21)16-25/h2-13,21-22H,14-16H2,1H3
InChIKeyVECLVJLGABWNPC-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.18
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene

4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene (PubChem CID 68764179) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
PubChem CID68764179
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
SMILESCOc1ccc(CN2CC3c4ccccc4Oc4ccccc4C3C2)cc1
InChIInChI=1S/C24H23NO2/c1-26-18-12-10-17(11-13-18)14-25-15-21-19-6-2-4-8-23(19)27-24-9-5-3-7-20(24)22(21)16-25/h2-13,21-22H,14-16H2,1H3
InChIKeyVECLVJLGABWNPC-UHFFFAOYSA-N
XLogP5.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene (CID 68764179) is 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene is COc1ccc(CN2CC3c4ccccc4Oc4ccccc4C3C2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene?
The InChIKey is VECLVJLGABWNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-26-18-12-10-17(11-13-18)14-25-15-21-19-6-2-4-8-23(19)27-24-9-5-3-7-20(24)22(21)16-25/h2-13,21-22H,14-16H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene?
4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene has a molecular weight of 357.45 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene is sourced from PubChem (CID 68764179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).