8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one

C23H27NO3 — CID 23243460

IUPAC8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one
SMILESCOc1ccc(CN2C(=O)C3(CCCC3)OCC2Cc2ccccc2)cc1
InChIInChI=1S/C23H27NO3/c1-26-21-11-9-19(10-12-21)16-24-20(15-18-7-3-2-4-8-18)17-27-23(22(24)25)13-5-6-14-23/h2-4,7-12,20H,5-6,13-17H2,1H3
InChIKeyFLGZIMGKXWYKSN-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.98
Rot. Bonds5

About 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one

8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one (PubChem CID 23243460) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one
PubChem CID23243460
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one
SMILESCOc1ccc(CN2C(=O)C3(CCCC3)OCC2Cc2ccccc2)cc1
InChIInChI=1S/C23H27NO3/c1-26-21-11-9-19(10-12-21)16-24-20(15-18-7-3-2-4-8-18)17-27-23(22(24)25)13-5-6-14-23/h2-4,7-12,20H,5-6,13-17H2,1H3
InChIKeyFLGZIMGKXWYKSN-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-benzyl-4-[(4-methoxyphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-5-one
CID 10872588
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 154994700
(3S,8aR)-3-benzyl-2-[(4-methoxyphenyl)methyl]-8a-(3-methylbut-2-enyl)-3,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 24859770
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(3R,4S,5R)-1-benzyl-3,4-dihydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 10881978
(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one
CID 134944587
(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine
CID 102380045
1-benzyl-4-(1-bromocyclopentyl)-3,3-dimethylazetidin-2-one
CID 11427655
(2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-one
CID 118631978
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one?
The IUPAC name of 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one (CID 23243460) is 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one.
What is the SMILES notation for 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one?
The canonical SMILES for 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one is COc1ccc(CN2C(=O)C3(CCCC3)OCC2Cc2ccccc2)cc1.
What is the InChIKey of 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one?
The InChIKey is FLGZIMGKXWYKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-26-21-11-9-19(10-12-21)16-24-20(15-18-7-3-2-4-8-18)17-27-23(22(24)25)13-5-6-14-23/h2-4,7-12,20H,5-6,13-17H2,1H3.
What are the key properties of 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one?
8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one has a molecular weight of 365.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one is sourced from PubChem (CID 23243460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).