8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C25H36N2O2 — CID 69054457

IUPAC8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC=C1N(CC2CCCCC2)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C25H36N2O2/c1-2-3-14-23-25(29-24(28)27(23)20-22-12-8-5-9-13-22)15-17-26(18-16-25)19-21-10-6-4-7-11-21/h4,6-7,10-11,14,22H,2-3,5,8-9,12-13,15-20H2,1H3
InChIKeyHRMKYPGPWGIRJG-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.74
Rot. Bonds6

About 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 69054457) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID69054457
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC=C1N(CC2CCCCC2)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C25H36N2O2/c1-2-3-14-23-25(29-24(28)27(23)20-22-12-8-5-9-13-22)15-17-26(18-16-25)19-21-10-6-4-7-11-21/h4,6-7,10-11,14,22H,2-3,5,8-9,12-13,15-20H2,1H3
InChIKeyHRMKYPGPWGIRJG-UHFFFAOYSA-N
XLogP5.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814309
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640
(4E)-1-benzyl-4-butylidene-5-methylazepane
CID 135037379
3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109454
8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 19814314
9-benzyl-1-butyl-3-cyclohexyl-1,3,9-triazaspiro[5.5]undecan-2-one
CID 23109367
8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236
3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085211
1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine
CID 59639412
8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 160986677
diethyl 2-[(1-benzylpiperidin-3-yl)methyl]propanedioate
CID 2780386
1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
CID 22660725

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 69054457) is 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC=C1N(CC2CCCCC2)C(=O)OC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HRMKYPGPWGIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-2-3-14-23-25(29-24(28)27(23)20-22-12-8-5-9-13-22)15-17-26(18-16-25)19-21-10-6-4-7-11-21/h4,6-7,10-11,14,22H,2-3,5,8-9,12-13,15-20H2,1H3.
What are the key properties of 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 396.58 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-butylidene-3-(cyclohexylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 69054457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).