9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one

C25H30N2O3 — CID 131680924

IUPAC9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(CC(=O)N2CCOC3(C2)C(=O)N(C(C)C)CC3c2ccccc2)cc1
InChIInChI=1S/C25H30N2O3/c1-18(2)27-16-22(21-7-5-4-6-8-21)25(24(27)29)17-26(13-14-30-25)23(28)15-20-11-9-19(3)10-12-20/h4-12,18,22H,13-17H2,1-3H3
InChIKeyHMYJIYOVPTUEGT-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.17
Rot. Bonds4

About 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one

9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131680924) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131680924
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(CC(=O)N2CCOC3(C2)C(=O)N(C(C)C)CC3c2ccccc2)cc1
InChIInChI=1S/C25H30N2O3/c1-18(2)27-16-22(21-7-5-4-6-8-21)25(24(27)29)17-26(13-14-30-25)23(28)15-20-11-9-19(3)10-12-20/h4-12,18,22H,13-17H2,1-3H3
InChIKeyHMYJIYOVPTUEGT-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one (CID 131680924) is 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one is Cc1ccc(CC(=O)N2CCOC3(C2)C(=O)N(C(C)C)CC3c2ccccc2)cc1.
What is the InChIKey of 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is HMYJIYOVPTUEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18(2)27-16-22(21-7-5-4-6-8-21)25(24(27)29)17-26(13-14-30-25)23(28)15-20-11-9-19(3)10-12-20/h4-12,18,22H,13-17H2,1-3H3.
What are the key properties of 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 406.53 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131680924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).