2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H32N2O4 — CID 70717871

IUPAC2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(CCOc1cccc(OC)c1)CC2
InChIInChI=1S/C21H32N2O4/c1-25-14-13-23-17-21(7-6-20(23)24)8-10-22(11-9-21)12-15-27-19-5-3-4-18(16-19)26-2/h3-5,16H,6-15,17H2,1-2H3
InChIKeyXZGRBDBLHZULSY-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.42
Rot. Bonds8

About 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70717871) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70717871
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(CCOc1cccc(OC)c1)CC2
InChIInChI=1S/C21H32N2O4/c1-25-14-13-23-17-21(7-6-20(23)24)8-10-22(11-9-21)12-15-27-19-5-3-4-18(16-19)26-2/h3-5,16H,6-15,17H2,1-2H3
InChIKeyXZGRBDBLHZULSY-UHFFFAOYSA-N
XLogP2.42
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
9-[2-(3-methoxyphenoxy)ethyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136238
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70714080
2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70750468
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
(6S)-2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97124836
9-[2-(4-methoxyphenoxy)ethyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97141984
2-(2-methoxyethyl)-9-[(3S)-3-methylsulfanylbutyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97143626
9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72915450
9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97126724
2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97149071

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70717871) is 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(CCOc1cccc(OC)c1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XZGRBDBLHZULSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-25-14-13-23-17-21(7-6-20(23)24)8-10-22(11-9-21)12-15-27-19-5-3-4-18(16-19)26-2/h3-5,16H,6-15,17H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.50 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70717871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).