1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

C24H30N2O3 — CID 162629767

IUPAC1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cccc(OCCN2CCCC23CCCN(c2ccc(C)cc2)C3=O)c1
InChIInChI=1S/C24H30N2O3/c1-19-8-10-20(11-9-19)26-15-5-13-24(23(26)27)12-4-14-25(24)16-17-29-22-7-3-6-21(18-22)28-2/h3,6-11,18H,4-5,12-17H2,1-2H3
InChIKeyJGELTJLOBLSZTQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.04
Rot. Bonds6

About 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162629767) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162629767
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cccc(OCCN2CCCC23CCCN(c2ccc(C)cc2)C3=O)c1
InChIInChI=1S/C24H30N2O3/c1-19-8-10-20(11-9-19)26-15-5-13-24(23(26)27)12-4-14-25(24)16-17-29-22-7-3-6-21(18-22)28-2/h3,6-11,18H,4-5,12-17H2,1-2H3
InChIKeyJGELTJLOBLSZTQ-UHFFFAOYSA-N
XLogP4.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627312
1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627322
1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163319262
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677822
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629044
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 162636373
1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162627526
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822124
1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630087

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162629767) is 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is COc1cccc(OCCN2CCCC23CCCN(c2ccc(C)cc2)C3=O)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JGELTJLOBLSZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-19-8-10-20(11-9-19)26-15-5-13-24(23(26)27)12-4-14-25(24)16-17-29-22-7-3-6-21(18-22)28-2/h3,6-11,18H,4-5,12-17H2,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 394.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162629767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).