[2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone

C28H38N2O5 — CID 70906285

IUPAC[2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
SMILESCOCC1CN(c2cccc(OC)c2)CC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)O1
InChIInChI=1S/C28H38N2O5/c1-20(2)34-26-10-9-22(15-21(26)3)27(31)29-13-11-28(12-14-29)19-30(17-25(35-28)18-32-4)23-7-6-8-24(16-23)33-5/h6-10,15-16,20,25H,11-14,17-19H2,1-5H3
InChIKeyWNWUMTAACHDRCH-UHFFFAOYSA-N
MW482.62 g/mol
LogP4.32
Rot. Bonds7

About [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone

[2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone (PubChem CID 70906285) has the molecular formula C28H38N2O5 and a molecular weight of 482.62 g/mol. Its IUPAC name is [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
PubChem CID70906285
Molecular FormulaC28H38N2O5
Molecular Weight482.62 g/mol
Exact Mass482.28
IUPAC Name[2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
SMILESCOCC1CN(c2cccc(OC)c2)CC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)O1
InChIInChI=1S/C28H38N2O5/c1-20(2)34-26-10-9-22(15-21(26)3)27(31)29-13-11-28(12-14-29)19-30(17-25(35-28)18-32-4)23-7-6-8-24(16-23)33-5/h6-10,15-16,20,25H,11-14,17-19H2,1-5H3
InChIKeyWNWUMTAACHDRCH-UHFFFAOYSA-N
XLogP4.32
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone with MolForge

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Related Compounds

[2-(methoxymethyl)-4-(3-methoxypropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 70906365
[4-(2,2-difluoropropyl)-2-(methoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 70906456
[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 70906273
[4-(2-hydroxyethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;molecular hydrogen
CID 158525654
(4-benzyl-2-ethenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 86672478
[4-benzyl-2-(4-chlorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 70872873
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 126741052
[(2R,4R)-4-ethoxy-2-(5-methoxy-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 126741035
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
(3-methyl-4-propan-2-yloxyphenyl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 66548535
2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
CID 110801450
1-[4-(3-methyl-4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805532

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone (CID 70906285) is [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone is COCC1CN(c2cccc(OC)c2)CC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)O1.
What is the InChIKey of [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?
The InChIKey is WNWUMTAACHDRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O5/c1-20(2)34-26-10-9-22(15-21(26)3)27(31)29-13-11-28(12-14-29)19-30(17-25(35-28)18-32-4)23-7-6-8-24(16-23)33-5/h6-10,15-16,20,25H,11-14,17-19H2,1-5H3.
What are the key properties of [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?
[2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone has a molecular weight of 482.62 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-4-(3-methoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 70906285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).