[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone

C20H31N3O2 — CID 118746082

IUPAC[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone
SMILESCN(C)CCN1CCOCC2(CCCN(C(=O)c3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-21(2)11-12-22-13-14-25-17-20(15-22)9-6-10-23(16-20)19(24)18-7-4-3-5-8-18/h3-5,7-8H,6,9-17H2,1-2H3
InChIKeyCYZIAULZBSVDCZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.80
Rot. Bonds4

About [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone

[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone (PubChem CID 118746082) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone
PubChem CID118746082
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone
SMILESCN(C)CCN1CCOCC2(CCCN(C(=O)c3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-21(2)11-12-22-13-14-25-17-20(15-22)9-6-10-23(16-20)19(24)18-7-4-3-5-8-18/h3-5,7-8H,6,9-17H2,1-2H3
InChIKeyCYZIAULZBSVDCZ-UHFFFAOYSA-N
XLogP1.80
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone with MolForge

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Related Compounds

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[4-(4-Methylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
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Azepan-1-yl-{3-[4-(2-methoxy-ethyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10594645
[2-(2,5-Dimethylhex-4-en-2-yl)-1,3-oxazolidin-3-yl]-phenylmethanone
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US10689398, Example 34
CID 129053865
US10689398, Example 29
CID 129069858

Frequently Asked Questions

What is the IUPAC name of [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone?
The IUPAC name of [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone (CID 118746082) is [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone.
What is the SMILES notation for [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone?
The canonical SMILES for [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone is CN(C)CCN1CCOCC2(CCCN(C(=O)c3ccccc3)C2)C1.
What is the InChIKey of [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone?
The InChIKey is CYZIAULZBSVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-21(2)11-12-22-13-14-25-17-20(15-22)9-6-10-23(16-20)19(24)18-7-4-3-5-8-18/h3-5,7-8H,6,9-17H2,1-2H3.
What are the key properties of [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone?
[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone has a molecular weight of 345.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-phenylmethanone is sourced from PubChem (CID 118746082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).