4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C24H30N2O3 — CID 118562556

IUPAC4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(N2CC3(CCN(CCc4ccccc4)CC3)OC(C)C2=O)c1
InChIInChI=1S/C24H30N2O3/c1-19-23(27)26(21-9-6-10-22(17-21)28-2)18-24(29-19)12-15-25(16-13-24)14-11-20-7-4-3-5-8-20/h3-10,17,19H,11-16,18H2,1-2H3
InChIKeyZEIMIZKOLIBIEH-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.52
Rot. Bonds5

About 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118562556) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118562556
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(N2CC3(CCN(CCc4ccccc4)CC3)OC(C)C2=O)c1
InChIInChI=1S/C24H30N2O3/c1-19-23(27)26(21-9-6-10-22(17-21)28-2)18-24(29-19)12-15-25(16-13-24)14-11-20-7-4-3-5-8-20/h3-10,17,19H,11-16,18H2,1-2H3
InChIKeyZEIMIZKOLIBIEH-UHFFFAOYSA-N
XLogP3.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118562556) is 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COc1cccc(N2CC3(CCN(CCc4ccccc4)CC3)OC(C)C2=O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZEIMIZKOLIBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-19-23(27)26(21-9-6-10-22(17-21)28-2)18-24(29-19)12-15-25(16-13-24)14-11-20-7-4-3-5-8-20/h3-10,17,19H,11-16,18H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 394.51 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118562556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).