[8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone

C22H32N2O2 — CID 129069858

IUPAC[8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone
SMILESCC(C)CN1CCCC2(CC1)CN(C(=O)c1ccccc1)CC1(CC1)O2
InChIInChI=1S/C22H32N2O2/c1-18(2)15-23-13-6-9-21(12-14-23)16-24(17-22(26-21)10-11-22)20(25)19-7-4-3-5-8-19/h3-5,7-8,18H,6,9-17H2,1-2H3
InChIKeyGDODHTFXEDYIJW-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.57
Rot. Bonds3

About [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone

[8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone (PubChem CID 129069858) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone.

Molecular Properties

Compound Name[8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone
PubChem CID129069858
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name[8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone
SMILESCC(C)CN1CCCC2(CC1)CN(C(=O)c1ccccc1)CC1(CC1)O2
InChIInChI=1S/C22H32N2O2/c1-18(2)15-23-13-6-9-21(12-14-23)16-24(17-22(26-21)10-11-22)20(25)19-7-4-3-5-8-19/h3-5,7-8,18H,6,9-17H2,1-2H3
InChIKeyGDODHTFXEDYIJW-UHFFFAOYSA-N
XLogP3.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone with MolForge

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Related Compounds

N-{2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553641
Azepan-1-yl-{3-[4-(2-methoxy-ethyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10594645
Azepan-1-yl[1-(phenylcarbonyl)piperidin-3-yl]methanone
CID 662599
(2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpholino)(phenyl)methanone
CID 46886605
US10689398, Example 72
CID 129070036
US10421750, Example 4
CID 129053725
US10421750, Example 51
CID 129053765
US10689398, Example 57
CID 129053801
US10689398, Example 12
CID 129053852
US10689398, Example 34
CID 129053865
US10689398, Example 56
CID 129053869
US10689398, Example 28
CID 129070041

Frequently Asked Questions

What is the IUPAC name of [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone?
The IUPAC name of [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone (CID 129069858) is [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone.
What is the SMILES notation for [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone?
The canonical SMILES for [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone is CC(C)CN1CCCC2(CC1)CN(C(=O)c1ccccc1)CC1(CC1)O2.
What is the InChIKey of [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone?
The InChIKey is GDODHTFXEDYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-18(2)15-23-13-6-9-21(12-14-23)16-24(17-22(26-21)10-11-22)20(25)19-7-4-3-5-8-19/h3-5,7-8,18H,6,9-17H2,1-2H3.
What are the key properties of [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone?
[8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone has a molecular weight of 356.51 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-methylpropyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-13-yl]-phenylmethanone is sourced from PubChem (CID 129069858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).