3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C17H24N2O3 — CID 56883731

IUPAC3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(CCOCc3ccccc3)C2)OC1=O
InChIInChI=1S/C17H24N2O3/c1-18-13-17(22-16(18)20)8-5-9-19(14-17)10-11-21-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeySAWQFKIGPCXSEV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.12
Rot. Bonds5

About 3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56883731) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56883731
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(CCOCc3ccccc3)C2)OC1=O
InChIInChI=1S/C17H24N2O3/c1-18-13-17(22-16(18)20)8-5-9-19(14-17)10-11-21-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeySAWQFKIGPCXSEV-UHFFFAOYSA-N
XLogP2.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.12
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-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56883731) is 3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CC2(CCCN(CCOCc3ccccc3)C2)OC1=O.
What is the InChIKey of 3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is SAWQFKIGPCXSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18-13-17(22-16(18)20)8-5-9-19(14-17)10-11-21-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of 3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 304.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(2-phenylmethoxyethyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56883731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).