5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

C24H23NO3 — CID 21481815

IUPAC5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCOc1ccc(N(C2=CC(=O)C3C4C=CC(C4)C23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-27-19-9-5-17(6-10-19)25(18-7-11-20(28-2)12-8-18)21-14-22(26)24-16-4-3-15(13-16)23(21)24/h3-12,14-16,23-24H,13H2,1-2H3
InChIKeySJVOBDMCJBRHIL-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.75
Rot. Bonds5

About 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (PubChem CID 21481815) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one.

Molecular Properties

Compound Name5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
PubChem CID21481815
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCOc1ccc(N(C2=CC(=O)C3C4C=CC(C4)C23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-27-19-9-5-17(6-10-19)25(18-7-11-20(28-2)12-8-18)21-14-22(26)24-16-4-3-15(13-16)23(21)24/h3-12,14-16,23-24H,13H2,1-2H3
InChIKeySJVOBDMCJBRHIL-UHFFFAOYSA-N
XLogP4.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The IUPAC name of 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (CID 21481815) is 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one.
What is the SMILES notation for 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The canonical SMILES for 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is COc1ccc(N(C2=CC(=O)C3C4C=CC(C4)C23)c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The InChIKey is SJVOBDMCJBRHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-27-19-9-5-17(6-10-19)25(18-7-11-20(28-2)12-8-18)21-14-22(26)24-16-4-3-15(13-16)23(21)24/h3-12,14-16,23-24H,13H2,1-2H3.
What are the key properties of 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one has a molecular weight of 373.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is sourced from PubChem (CID 21481815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).