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

C18H26N2O2 — CID 3232629

IUPAC2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C18H26N2O2/c1-22-14-17(21)19-12-9-18(10-13-19)8-5-11-20(15-18)16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3
InChIKeyOROZHXMJRQVIHA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.54
Rot. Bonds3

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

2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 3232629) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID3232629
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C18H26N2O2/c1-22-14-17(21)19-12-9-18(10-13-19)8-5-11-20(15-18)16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3
InChIKeyOROZHXMJRQVIHA-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 60575
CID 60575
CID 968688
CID 968688
CID 13653729
CID 13653729
CID 118562375
CID 118562375
CID 118562510
CID 118562510
CID 137700051
CID 137700051
CID 5153080
CID 5153080
CID 13653749
CID 13653749
CID 102004349
CID 102004349
CID 118562384
CID 118562384
CID 118562440
CID 118562440
CID 118562451
CID 118562451

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 3232629) is 2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is COCC(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1.
What is the InChIKey of 2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is OROZHXMJRQVIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-14-17(21)19-12-9-18(10-13-19)8-5-11-20(15-18)16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3.
What are the key properties of 2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 3232629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).