10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C24H30N2O2 — CID 155986318

IUPAC10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCc1ccc(CN2CCCC3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)c1
InChIInChI=1S/C24H30N2O2/c1-19-9-10-21(20(2)15-19)16-25-13-6-11-24(12-14-25)18-26(23(27)17-28-24)22-7-4-3-5-8-22/h3-5,7-10,15H,6,11-14,16-18H2,1-2H3
InChIKeyUTMRYMYSNSALET-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.09
Rot. Bonds3

About 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155986318) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155986318
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCc1ccc(CN2CCCC3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)c1
InChIInChI=1S/C24H30N2O2/c1-19-9-10-21(20(2)15-19)16-25-13-6-11-24(12-14-25)18-26(23(27)17-28-24)22-7-4-3-5-8-22/h3-5,7-10,15H,6,11-14,16-18H2,1-2H3
InChIKeyUTMRYMYSNSALET-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155986318) is 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is Cc1ccc(CN2CCCC3(CC2)CN(c2ccccc2)C(=O)CO3)c(C)c1.
What is the InChIKey of 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is UTMRYMYSNSALET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-19-9-10-21(20(2)15-19)16-25-13-6-11-24(12-14-25)18-26(23(27)17-28-24)22-7-4-3-5-8-22/h3-5,7-10,15H,6,11-14,16-18H2,1-2H3.
What are the key properties of 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 378.52 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155986318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).