2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H32N2O3 — CID 70750468

IUPAC2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(CCCC(=O)c1ccccc1)CC2
InChIInChI=1S/C22H32N2O3/c1-27-17-16-24-18-22(10-9-21(24)26)11-14-23(15-12-22)13-5-8-20(25)19-6-3-2-4-7-19/h2-4,6-7H,5,8-18H2,1H3
InChIKeyAZVBEERKQHJDGF-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.00
Rot. Bonds8

About 2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70750468) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70750468
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(CCCC(=O)c1ccccc1)CC2
InChIInChI=1S/C22H32N2O3/c1-27-17-16-24-18-22(10-9-21(24)26)11-14-23(15-12-22)13-5-8-20(25)19-6-3-2-4-7-19/h2-4,6-7H,5,8-18H2,1H3
InChIKeyAZVBEERKQHJDGF-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-9-(1-phenylcyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72889857
9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72915450
2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152362
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717871
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
4-[[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 70773528
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387
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-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70750468) is 2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(CCCC(=O)c1ccccc1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AZVBEERKQHJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-27-17-16-24-18-22(10-9-21(24)26)11-14-23(15-12-22)13-5-8-20(25)19-6-3-2-4-7-19/h2-4,6-7H,5,8-18H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.51 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70750468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).