(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone

C18H25NO4 — CID 91917960

IUPAC(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC3(CC2)CC(OC)CCO3)c1
InChIInChI=1S/C18H25NO4/c1-21-15-5-3-4-14(12-15)17(20)19-9-7-18(8-10-19)13-16(22-2)6-11-23-18/h3-5,12,16H,6-11,13H2,1-2H3
InChIKeyDGXYNPGBYYSJCI-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.50
Rot. Bonds3

About (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone

(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone (PubChem CID 91917960) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
PubChem CID91917960
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC3(CC2)CC(OC)CCO3)c1
InChIInChI=1S/C18H25NO4/c1-21-15-5-3-4-14(12-15)17(20)19-9-7-18(8-10-19)13-16(22-2)6-11-23-18/h3-5,12,16H,6-11,13H2,1-2H3
InChIKeyDGXYNPGBYYSJCI-UHFFFAOYSA-N
XLogP2.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124801731
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
1-[(5R,9S)-2-(3-methoxybenzoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97476789
(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
CID 162818233
N-[[1-(3-methoxybenzoyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-5-oxaspiro[3.5]nonane-8-carboxamide
CID 166433367
[4-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 95718703
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone
CID 91907714
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917956
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917964
2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91917976

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone (CID 91917960) is (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC3(CC2)CC(OC)CCO3)c1.
What is the InChIKey of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone?
The InChIKey is DGXYNPGBYYSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-21-15-5-3-4-14(12-15)17(20)19-9-7-18(8-10-19)13-16(22-2)6-11-23-18/h3-5,12,16H,6-11,13H2,1-2H3.
What are the key properties of (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone?
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone has a molecular weight of 319.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 91917960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).