(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone

C25H32N2O3 — CID 131909207

IUPAC(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone
SMILESCCN1CCCC2(CCCN(C(=O)c3ccc(Oc4ccc(OC)cc4)cc3)C2)C1
InChIInChI=1S/C25H32N2O3/c1-3-26-16-4-14-25(18-26)15-5-17-27(19-25)24(28)20-6-8-22(9-7-20)30-23-12-10-21(29-2)11-13-23/h6-13H,3-5,14-19H2,1-2H3
InChIKeyRWYKEZQBEROWIU-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.83
Rot. Bonds5

About (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone

(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone (PubChem CID 131909207) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone.

Molecular Properties

Compound Name(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone
PubChem CID131909207
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone
SMILESCCN1CCCC2(CCCN(C(=O)c3ccc(Oc4ccc(OC)cc4)cc3)C2)C1
InChIInChI=1S/C25H32N2O3/c1-3-26-16-4-14-25(18-26)15-5-17-27(19-25)24(28)20-6-8-22(9-7-20)30-23-12-10-21(29-2)11-13-23/h6-13H,3-5,14-19H2,1-2H3
InChIKeyRWYKEZQBEROWIU-UHFFFAOYSA-N
XLogP4.83
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
CID 146098508
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(methylamino)phenyl]-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2,8-diazaspiro[5.5]undecan-8-yl]methanone
CID 171683984
methyl 4-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]benzoate
CID 25452913
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279
(5S)-2-ethyl-10-(4-methoxybenzoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97439069
2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
CID 154881198
ethyl 3-(hydroxymethyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322203

Frequently Asked Questions

What is the IUPAC name of (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone?
The IUPAC name of (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone (CID 131909207) is (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone.
What is the SMILES notation for (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone?
The canonical SMILES for (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone is CCN1CCCC2(CCCN(C(=O)c3ccc(Oc4ccc(OC)cc4)cc3)C2)C1.
What is the InChIKey of (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone?
The InChIKey is RWYKEZQBEROWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-3-26-16-4-14-25(18-26)15-5-17-27(19-25)24(28)20-6-8-22(9-7-20)30-23-12-10-21(29-2)11-13-23/h6-13H,3-5,14-19H2,1-2H3.
What are the key properties of (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone?
(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone has a molecular weight of 408.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone is sourced from PubChem (CID 131909207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).