8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H28N2O5 — CID 95892038

IUPAC8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC[C@H](C)N1CC2(CCN(C(=O)c3cccc(OC)c3O)CC2)OC1=O
InChIInChI=1S/C20H28N2O5/c1-4-6-14(2)22-13-20(27-19(22)25)9-11-21(12-10-20)18(24)15-7-5-8-16(26-3)17(15)23/h5,7-8,14,23H,4,6,9-13H2,1-3H3/t14-/m0/s1
InChIKeyAPMVSMZKFIIPIY-AWEZNQCLSA-N
MW376.45 g/mol
LogP3.02
Rot. Bonds5

About 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95892038) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95892038
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC[C@H](C)N1CC2(CCN(C(=O)c3cccc(OC)c3O)CC2)OC1=O
InChIInChI=1S/C20H28N2O5/c1-4-6-14(2)22-13-20(27-19(22)25)9-11-21(12-10-20)18(24)15-7-5-8-16(26-3)17(15)23/h5,7-8,14,23H,4,6,9-13H2,1-3H3/t14-/m0/s1
InChIKeyAPMVSMZKFIIPIY-AWEZNQCLSA-N
XLogP3.02
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2,6-dimethoxyphenyl)methyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95881025
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
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63597089
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
9-(2-hydroxy-3-methoxybenzoyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72852626
4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
CID 62896513

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95892038) is 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC[C@H](C)N1CC2(CCN(C(=O)c3cccc(OC)c3O)CC2)OC1=O.
What is the InChIKey of 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is APMVSMZKFIIPIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-4-6-14(2)22-13-20(27-19(22)25)9-11-21(12-10-20)18(24)15-7-5-8-16(26-3)17(15)23/h5,7-8,14,23H,4,6,9-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 376.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxy-3-methoxybenzoyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95892038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).