2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H32N2O3 — CID 70714080

IUPAC2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOc1cccc(OCCN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1
InChIInChI=1S/C22H32N2O3/c1-2-26-19-4-3-5-20(16-19)27-15-14-23-12-10-22(11-13-23)9-8-21(25)24(17-22)18-6-7-18/h3-5,16,18H,2,6-15,17H2,1H3
InChIKeyLVYLZPPRKHZLPR-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.33
Rot. Bonds7

About 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70714080) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70714080
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOc1cccc(OCCN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1
InChIInChI=1S/C22H32N2O3/c1-2-26-19-4-3-5-20(16-19)27-15-14-23-12-10-22(11-13-23)9-8-21(25)24(17-22)18-6-7-18/h3-5,16,18H,2,6-15,17H2,1H3
InChIKeyLVYLZPPRKHZLPR-UHFFFAOYSA-N
XLogP3.33
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-9-(2-phenoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70761556
2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717871
9-[2-(3-methoxyphenoxy)ethyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136238
2-cyclopentyl-9-(2-phenylmethoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713615
1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile
CID 39373253
9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70717744
2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72877434
2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine
CID 50956772
2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72936317

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70714080) is 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is CCOc1cccc(OCCN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1.
What is the InChIKey of 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LVYLZPPRKHZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-2-26-19-4-3-5-20(16-19)27-15-14-23-12-10-22(11-13-23)9-8-21(25)24(17-22)18-6-7-18/h3-5,16,18H,2,6-15,17H2,1H3.
What are the key properties of 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.51 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70714080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).