8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H28N2O3 — CID 66902022

IUPAC8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CC3(CCN(C(=O)c4cccc(C)c4C)CC3)OC2=O)cc1
InChIInChI=1S/C24H28N2O3/c1-17-7-9-20(10-8-17)15-26-16-24(29-23(26)28)11-13-25(14-12-24)22(27)21-6-4-5-18(2)19(21)3/h4-10H,11-16H2,1-3H3
InChIKeySGPDSBADVXZGTG-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.24
Rot. Bonds3

About 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66902022) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66902022
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CC3(CCN(C(=O)c4cccc(C)c4C)CC3)OC2=O)cc1
InChIInChI=1S/C24H28N2O3/c1-17-7-9-20(10-8-17)15-26-16-24(29-23(26)28)11-13-25(14-12-24)22(27)21-6-4-5-18(2)19(21)3/h4-10H,11-16H2,1-3H3
InChIKeySGPDSBADVXZGTG-UHFFFAOYSA-N
XLogP4.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66902022) is 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1ccc(CN2CC3(CCN(C(=O)c4cccc(C)c4C)CC3)OC2=O)cc1.
What is the InChIKey of 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SGPDSBADVXZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17-7-9-20(10-8-17)15-26-16-24(29-23(26)28)11-13-25(14-12-24)22(27)21-6-4-5-18(2)19(21)3/h4-10H,11-16H2,1-3H3.
What are the key properties of 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylbenzoyl)-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66902022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).