5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

C19H34N2O2 — CID 59657471

IUPAC5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCCC1CN(CC2CCCCC2)C(=O)OC12CCNCC2
InChIInChI=1S/C19H34N2O2/c1-2-3-9-17-15-21(14-16-7-5-4-6-8-16)18(22)23-19(17)10-12-20-13-11-19/h16-17,20H,2-15H2,1H3
InChIKeySMZPNDTYVMYTRM-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.95
Rot. Bonds5

About 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 59657471) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID59657471
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCCC1CN(CC2CCCCC2)C(=O)OC12CCNCC2
InChIInChI=1S/C19H34N2O2/c1-2-3-9-17-15-21(14-16-7-5-4-6-8-16)18(22)23-19(17)10-12-20-13-11-19/h16-17,20H,2-15H2,1H3
InChIKeySMZPNDTYVMYTRM-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (CID 59657471) is 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is CCCCC1CN(CC2CCCCC2)C(=O)OC12CCNCC2.
What is the InChIKey of 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is SMZPNDTYVMYTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-2-3-9-17-15-21(14-16-7-5-4-6-8-16)18(22)23-19(17)10-12-20-13-11-19/h16-17,20H,2-15H2,1H3.
What are the key properties of 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 322.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 59657471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).