1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol

C25H40N2O4 — CID 175645803

IUPAC1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol
SMILESCOc1cc(CN(C)C2CCOCC2)ccc1OCC(O)CN1CCC2(CCCC2)C1
InChIInChI=1S/C25H40N2O4/c1-26(21-7-13-30-14-8-21)16-20-5-6-23(24(15-20)29-2)31-18-22(28)17-27-12-11-25(19-27)9-3-4-10-25/h5-6,15,21-22,28H,3-4,7-14,16-19H2,1-2H3
InChIKeyDVFBPKQUZJBAQP-UHFFFAOYSA-N
MW432.61 g/mol
LogP3.31
Rot. Bonds9

About 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol

1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol (PubChem CID 175645803) has the molecular formula C25H40N2O4 and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol
PubChem CID175645803
Molecular FormulaC25H40N2O4
Molecular Weight432.61 g/mol
Exact Mass432.30
IUPAC Name1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol
SMILESCOc1cc(CN(C)C2CCOCC2)ccc1OCC(O)CN1CCC2(CCCC2)C1
InChIInChI=1S/C25H40N2O4/c1-26(21-7-13-30-14-8-21)16-20-5-6-23(24(15-20)29-2)31-18-22(28)17-27-12-11-25(19-27)9-3-4-10-25/h5-6,15,21-22,28H,3-4,7-14,16-19H2,1-2H3
InChIKeyDVFBPKQUZJBAQP-UHFFFAOYSA-N
XLogP3.31
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 45181608
1-[2-methoxy-5-[[methyl(oxan-4-yl)amino]methyl]phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol
CID 45213474
(2S)-1-[4-[[cyclopentylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269233
1-[4-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72928593
1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72933855
(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269962
1-[2-methoxy-5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol
CID 45199240
1-[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72853462
1-[(2S)-2-hydroxy-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-ol
CID 97277352
1-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72939166
(2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28872431
1-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72866176

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol (CID 175645803) is 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol is COc1cc(CN(C)C2CCOCC2)ccc1OCC(O)CN1CCC2(CCCC2)C1.
What is the InChIKey of 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol?
The InChIKey is DVFBPKQUZJBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O4/c1-26(21-7-13-30-14-8-21)16-20-5-6-23(24(15-20)29-2)31-18-22(28)17-27-12-11-25(19-27)9-3-4-10-25/h5-6,15,21-22,28H,3-4,7-14,16-19H2,1-2H3.
What are the key properties of 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol?
1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol has a molecular weight of 432.61 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[4.4]nonan-2-yl)-3-[2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 175645803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).