3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione

C28H28N2O4 — CID 42632292

IUPAC3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(C)C)C23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C28H28N2O4/c1-18(2)30-25(31)27(19-10-14-21(33-4)15-11-19,20-12-16-22(34-5)17-13-20)28(30)23-8-6-7-9-24(23)29(3)26(28)32/h6-18H,1-5H3
InChIKeyOXJSDALCSIQGFH-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.11
Rot. Bonds5

About 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione

3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione (PubChem CID 42632292) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione.

Molecular Properties

Compound Name3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione
PubChem CID42632292
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(C)C)C23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C28H28N2O4/c1-18(2)30-25(31)27(19-10-14-21(33-4)15-11-19,20-12-16-22(34-5)17-13-20)28(30)23-8-6-7-9-24(23)29(3)26(28)32/h6-18H,1-5H3
InChIKeyOXJSDALCSIQGFH-UHFFFAOYSA-N
XLogP4.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione?
The IUPAC name of 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione (CID 42632292) is 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione.
What is the SMILES notation for 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione?
The canonical SMILES for 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione is COc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(C)C)C23C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione?
The InChIKey is OXJSDALCSIQGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-18(2)30-25(31)27(19-10-14-21(33-4)15-11-19,20-12-16-22(34-5)17-13-20)28(30)23-8-6-7-9-24(23)29(3)26(28)32/h6-18H,1-5H3.
What are the key properties of 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione?
3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione has a molecular weight of 456.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione is sourced from PubChem (CID 42632292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).