(5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C18H26N2O4 — CID 95729019

IUPAC(5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCOc1ccccc1OCCCN1CCC[C@@]2(C1)CN(C)C(=O)O2
InChIInChI=1S/C18H26N2O4/c1-19-13-18(24-17(19)21)9-5-10-20(14-18)11-6-12-23-16-8-4-3-7-15(16)22-2/h3-4,7-8H,5-6,9-14H2,1-2H3/t18-/m0/s1
InChIKeyJXGIVFRTRLTADH-SFHVURJKSA-N
MW334.42 g/mol
LogP2.38
Rot. Bonds6

About (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95729019) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95729019
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCOc1ccccc1OCCCN1CCC[C@@]2(C1)CN(C)C(=O)O2
InChIInChI=1S/C18H26N2O4/c1-19-13-18(24-17(19)21)9-5-10-20(14-18)11-6-12-23-16-8-4-3-7-15(16)22-2/h3-4,7-8H,5-6,9-14H2,1-2H3/t18-/m0/s1
InChIKeyJXGIVFRTRLTADH-SFHVURJKSA-N
XLogP2.38
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56890846
(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95896895
9-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77096294
3-methyl-9-[2-(4-propoxyphenoxy)ethyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56914456
9-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56912030
(4R)-4-(hydroxymethyl)-1-[3-(2-methoxyphenoxy)propyl]azepan-4-ol
CID 95707159
N-benzyl-N-methyl-3-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 56910301
7-[3-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 71617440
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56899200
(5R)-9-[2-(4-chloropyrazol-1-yl)ethyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 124750783
3-methyl-9-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77082111

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95729019) is (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is COc1ccccc1OCCCN1CCC[C@@]2(C1)CN(C)C(=O)O2.
What is the InChIKey of (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is JXGIVFRTRLTADH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-19-13-18(24-17(19)21)9-5-10-20(14-18)11-6-12-23-16-8-4-3-7-15(16)22-2/h3-4,7-8H,5-6,9-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95729019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).