2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

C24H30N2O2 — CID 3232880

IUPAC2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C24H30N2O2/c1-28-19-23(27)26-17-13-24(14-18-26)11-15-25(16-12-24)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10H,11-19H2,1H3
InChIKeyHKORRRJIJROXNC-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.21
Rot. Bonds4

About 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (PubChem CID 3232880) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
PubChem CID3232880
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C24H30N2O2/c1-28-19-23(27)26-17-13-24(14-18-26)11-15-25(16-12-24)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10H,11-19H2,1H3
InChIKeyHKORRRJIJROXNC-UHFFFAOYSA-N
XLogP4.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The IUPAC name of 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (CID 3232880) is 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is COCC(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2.
What is the InChIKey of 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The InChIKey is HKORRRJIJROXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-19-23(27)26-17-13-24(14-18-26)11-15-25(16-12-24)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10H,11-19H2,1H3.
What are the key properties of 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone has a molecular weight of 378.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is sourced from PubChem (CID 3232880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).