3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H26N2O3 — CID 70787813

IUPAC3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(CCCOCc3ccccc3)CC2)OC1=O
InChIInChI=1S/C18H26N2O3/c1-19-15-18(23-17(19)21)8-11-20(12-9-18)10-5-13-22-14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3
InChIKeyFLJFMMDLOBUYLE-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.51
Rot. Bonds6

About 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70787813) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70787813
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(CCCOCc3ccccc3)CC2)OC1=O
InChIInChI=1S/C18H26N2O3/c1-19-15-18(23-17(19)21)8-11-20(12-9-18)10-5-13-22-14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3
InChIKeyFLJFMMDLOBUYLE-UHFFFAOYSA-N
XLogP2.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70787813) is 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(CCCOCc3ccccc3)CC2)OC1=O.
What is the InChIKey of 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FLJFMMDLOBUYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19-15-18(23-17(19)21)8-11-20(12-9-18)10-5-13-22-14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3.
What are the key properties of 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(3-phenylmethoxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70787813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).