5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one

C22H26N2O2 — CID 118739021

IUPAC5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one
SMILESCCC(C)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-16(2)23-17-9-10-20-19(15-17)22(11-13-26-14-12-22)21(25)24(20)18-7-5-4-6-8-18/h4-10,15-16,23H,3,11-14H2,1-2H3
InChIKeyDBLUYISISACZEZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.62
Rot. Bonds4

About 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one

5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one (PubChem CID 118739021) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one
PubChem CID118739021
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one
SMILESCCC(C)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-16(2)23-17-9-10-20-19(15-17)22(11-13-26-14-12-22)21(25)24(20)18-7-5-4-6-8-18/h4-10,15-16,23H,3,11-14H2,1-2H3
InChIKeyDBLUYISISACZEZ-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one?
The IUPAC name of 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one (CID 118739021) is 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one.
What is the SMILES notation for 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one?
The canonical SMILES for 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one is CCC(C)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccccc1.
What is the InChIKey of 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one?
The InChIKey is DBLUYISISACZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-16(2)23-17-9-10-20-19(15-17)22(11-13-26-14-12-22)21(25)24(20)18-7-5-4-6-8-18/h4-10,15-16,23H,3,11-14H2,1-2H3.
What are the key properties of 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one?
5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one is sourced from PubChem (CID 118739021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).