[7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone

C21H32N2O2 — CID 129069861

IUPAC[7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone
SMILESCC(C)CN1CCCCN(C(=O)c2ccccc2)CC2(CC2)OCC1
InChIInChI=1S/C21H32N2O2/c1-18(2)16-22-12-6-7-13-23(17-21(10-11-21)25-15-14-22)20(24)19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-17H2,1-2H3
InChIKeyAWVGGGQAEVLZCY-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.43
Rot. Bonds3

About [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone

[7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone (PubChem CID 129069861) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone.

Molecular Properties

Compound Name[7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone
PubChem CID129069861
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name[7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone
SMILESCC(C)CN1CCCCN(C(=O)c2ccccc2)CC2(CC2)OCC1
InChIInChI=1S/C21H32N2O2/c1-18(2)16-22-12-6-7-13-23(17-21(10-11-21)25-15-14-22)20(24)19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-17H2,1-2H3
InChIKeyAWVGGGQAEVLZCY-UHFFFAOYSA-N
XLogP3.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372283
phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134789259
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
CID 71968472
[9-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155832396
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97374282
bis(2,2-dimethylpropane);methane;1-(2-methylpropyl)pyridin-2-one;phenyl(piperidin-1-yl)methanone
CID 159841233
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293
N-[3-[2-(4-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]methanesulfonamide
CID 118562470
1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
CID 97481590
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072

Frequently Asked Questions

What is the IUPAC name of [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone?
The IUPAC name of [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone (CID 129069861) is [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone.
What is the SMILES notation for [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone?
The canonical SMILES for [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone is CC(C)CN1CCCCN(C(=O)c2ccccc2)CC2(CC2)OCC1.
What is the InChIKey of [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone?
The InChIKey is AWVGGGQAEVLZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-18(2)16-22-12-6-7-13-23(17-21(10-11-21)25-15-14-22)20(24)19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-17H2,1-2H3.
What are the key properties of [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone?
[7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone has a molecular weight of 344.50 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methylpropyl)-4-oxa-7,12-diazaspiro[2.10]tridecan-12-yl]-phenylmethanone is sourced from PubChem (CID 129069861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).