8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H32N2O4 — CID 95881025

IUPAC8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC[C@H](C)N1CC2(CCN(Cc3c(OC)cccc3OC)CC2)OC1=O
InChIInChI=1S/C21H32N2O4/c1-5-7-16(2)23-15-21(27-20(23)24)10-12-22(13-11-21)14-17-18(25-3)8-6-9-19(17)26-4/h6,8-9,16H,5,7,10-15H2,1-4H3/t16-/m0/s1
InChIKeyBTUCOFRNBXJAOV-INIZCTEOSA-N
MW376.50 g/mol
LogP3.68
Rot. Bonds7

About 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95881025) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95881025
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC[C@H](C)N1CC2(CCN(Cc3c(OC)cccc3OC)CC2)OC1=O
InChIInChI=1S/C21H32N2O4/c1-5-7-16(2)23-15-21(27-20(23)24)10-12-22(13-11-21)14-17-18(25-3)8-6-9-19(17)26-4/h6,8-9,16H,5,7,10-15H2,1-4H3/t16-/m0/s1
InChIKeyBTUCOFRNBXJAOV-INIZCTEOSA-N
XLogP3.68
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95892038
8-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-3-[(2R)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95895763
8-(2-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70745018
3-pentan-2-yl-8-(5-propyl-1,2-oxazole-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70753407
5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile
CID 70733842
8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95893779
8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70769161
(5S)-9-[(2,6-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 125011061
1-[(2-methoxy-6-propan-2-yloxyphenyl)methyl]piperazine
CID 117415818
8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133469
1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 72868378
3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70720095

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95881025) is 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC[C@H](C)N1CC2(CCN(Cc3c(OC)cccc3OC)CC2)OC1=O.
What is the InChIKey of 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BTUCOFRNBXJAOV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-5-7-16(2)23-15-21(27-20(23)24)10-12-22(13-11-21)14-17-18(25-3)8-6-9-19(17)26-4/h6,8-9,16H,5,7,10-15H2,1-4H3/t16-/m0/s1.
What are the key properties of 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 376.50 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95881025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).