2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H32N2O3 — CID 72877434

IUPAC2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(C)ccc1OCCN1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C22H32N2O3/c1-17-4-7-19(20(14-17)26-2)27-13-12-23-11-3-9-22(15-23)10-8-21(25)24(16-22)18-5-6-18/h4,7,14,18H,3,5-6,8-13,15-16H2,1-2H3
InChIKeyUTAFZNYNVNFFSK-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.25
Rot. Bonds6

About 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72877434) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72877434
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(C)ccc1OCCN1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C22H32N2O3/c1-17-4-7-19(20(14-17)26-2)27-13-12-23-11-3-9-22(15-23)10-8-21(25)24(16-22)18-5-6-18/h4,7,14,18H,3,5-6,8-13,15-16H2,1-2H3
InChIKeyUTAFZNYNVNFFSK-UHFFFAOYSA-N
XLogP3.25
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
(6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97125922
2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70766870
2-(3-hydroxypropyl)-8-[(2-methoxy-4-methylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70755739
2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70714080
2-cyclopropyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70749704
2-cyclopentyl-9-(2-phenoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70761556
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 72908060
(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896690
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione
CID 2221477
2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706816

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 72877434) is 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is COc1cc(C)ccc1OCCN1CCCC2(CCC(=O)N(C3CC3)C2)C1.
What is the InChIKey of 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is UTAFZNYNVNFFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-17-4-7-19(20(14-17)26-2)27-13-12-23-11-3-9-22(15-23)10-8-21(25)24(16-22)18-5-6-18/h4,7,14,18H,3,5-6,8-13,15-16H2,1-2H3.
What are the key properties of 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72877434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).