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

C24H30N2O2 — CID 3234200

IUPAC2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C24H30N2O2/c1-28-18-23(27)25-15-12-24(13-16-25)11-6-14-26(19-24)22-10-5-9-21(17-22)20-7-3-2-4-8-20/h2-5,7-10,17H,6,11-16,18-19H2,1H3
InChIKeyIQOPXGYMTBOZRL-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.21
Rot. Bonds4

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

2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 3234200) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
PubChem CID3234200
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C24H30N2O2/c1-28-18-23(27)25-15-12-24(13-16-25)11-6-14-26(19-24)22-10-5-9-21(17-22)20-7-3-2-4-8-20/h2-5,7-10,17H,6,11-16,18-19H2,1H3
InChIKeyIQOPXGYMTBOZRL-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-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (CID 3234200) is 2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is COCC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1.
What is the InChIKey of 2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is IQOPXGYMTBOZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-18-23(27)25-15-12-24(13-16-25)11-6-14-26(19-24)22-10-5-9-21(17-22)20-7-3-2-4-8-20/h2-5,7-10,17H,6,11-16,18-19H2,1H3.
What are the key properties of 2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
2-methoxy-1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-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-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 3234200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).