3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C18H26N2O3 — CID 56890846

IUPAC3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(CCCCOc3ccccc3)C2)OC1=O
InChIInChI=1S/C18H26N2O3/c1-19-14-18(23-17(19)21)10-7-12-20(15-18)11-5-6-13-22-16-8-3-2-4-9-16/h2-4,8-9H,5-7,10-15H2,1H3
InChIKeyDGDRXUQPNVPNFN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.76
Rot. Bonds6

About 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56890846) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56890846
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(CCCCOc3ccccc3)C2)OC1=O
InChIInChI=1S/C18H26N2O3/c1-19-14-18(23-17(19)21)10-7-12-20(15-18)11-5-6-13-22-16-8-3-2-4-9-16/h2-4,8-9H,5-7,10-15H2,1H3
InChIKeyDGDRXUQPNVPNFN-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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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Related Compounds

3-methyl-9-[2-(4-propoxyphenoxy)ethyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56914456
(5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95729019
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126424841
(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95896895
N-benzyl-N-methyl-3-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 56910301
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
CID 63137224
3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide
CID 124749555
9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56909506
3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56886578
2-hydroxy-5-[[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]benzoic acid
CID 95874333
(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56890846) is 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CC2(CCCN(CCCCOc3ccccc3)C2)OC1=O.
What is the InChIKey of 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is DGDRXUQPNVPNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19-14-18(23-17(19)21)10-7-12-20(15-18)11-5-6-13-22-16-8-3-2-4-9-16/h2-4,8-9H,5-7,10-15H2,1H3.
What are the key properties of 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56890846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).