12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one

C20H28N2O2 — CID 129053879

IUPAC12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCCN(CCc3ccccc3)C2)OC2(CC2)C1=O
InChIInChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(11-12-20)18(22)23)10-6-13-21(15-19)14-9-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3
InChIKeyAJFXVIWVABYZKI-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.47
Rot. Bonds4

About 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one

12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 129053879) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID129053879
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCCN(CCc3ccccc3)C2)OC2(CC2)C1=O
InChIInChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(11-12-20)18(22)23)10-6-13-21(15-19)14-9-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3
InChIKeyAJFXVIWVABYZKI-UHFFFAOYSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one with MolForge

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Related Compounds

(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
CID 129053848
12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one
CID 129053654
3-[2-(12-ethyl-13-oxo-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-8-yl)ethyl]benzonitrile
CID 118560949
(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97395102
12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride
CID 162315070
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561108
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane
CID 172620639
N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
CID 97397277
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 129053879) is 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one is CCN1CC2(CCCN(CCc3ccccc3)C2)OC2(CC2)C1=O.
What is the InChIKey of 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is AJFXVIWVABYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-22-16-19(24-20(11-12-20)18(22)23)10-6-13-21(15-19)14-9-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3.
What are the key properties of 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one?
12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 328.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 129053879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).