2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one

C24H31N3O3 — CID 68868109

IUPAC2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1ccc(CCN2C(=O)C3(CCNCC3)N(C)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-26-22(19-6-10-21(30-3)11-7-19)27(23(28)24(26)13-15-25-16-14-24)17-12-18-4-8-20(29-2)9-5-18/h4-11,22,25H,12-17H2,1-3H3
InChIKeyLLTMNYRTGBOJMF-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one

2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 68868109) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID68868109
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1ccc(CCN2C(=O)C3(CCNCC3)N(C)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-26-22(19-6-10-21(30-3)11-7-19)27(23(28)24(26)13-15-25-16-14-24)17-12-18-4-8-20(29-2)9-5-18/h4-11,22,25H,12-17H2,1-3H3
InChIKeyLLTMNYRTGBOJMF-UHFFFAOYSA-N
XLogP2.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopropylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-N,1-dimethyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 25066663
tert-butyl 3-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-[4-(2-methylpropyl)phenyl]-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 25066051
8-(cyclopentanecarbonyl)-2-[4-(difluoromethoxy)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25065836
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946237
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
tert-butyl (2R)-1-methyl-3-[2-(4-methylphenyl)ethyl]-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 143600030
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 68868109) is 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one is COc1ccc(CCN2C(=O)C3(CCNCC3)N(C)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is LLTMNYRTGBOJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26-22(19-6-10-21(30-3)11-7-19)27(23(28)24(26)13-15-25-16-14-24)17-12-18-4-8-20(29-2)9-5-18/h4-11,22,25H,12-17H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one?
2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 409.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 68868109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).