N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide

C25H31N3O3 — CID 126744800

IUPACN-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCN2CCC3(CC2)CN(c2ccccc2)C(=O)C(C)O3)c1
InChIInChI=1S/C25H31N3O3/c1-19-24(30)28(23-9-4-3-5-10-23)18-25(31-19)12-15-27(16-13-25)14-11-21-7-6-8-22(17-21)26-20(2)29/h3-10,17,19H,11-16,18H2,1-2H3,(H,26,29)
InChIKeyGFMRIFXLIUPAFX-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.47
Rot. Bonds5

About N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide

N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide (PubChem CID 126744800) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide
PubChem CID126744800
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCN2CCC3(CC2)CN(c2ccccc2)C(=O)C(C)O3)c1
InChIInChI=1S/C25H31N3O3/c1-19-24(30)28(23-9-4-3-5-10-23)18-25(31-19)12-15-27(16-13-25)14-11-21-7-6-8-22(17-21)26-20(2)29/h3-10,17,19H,11-16,18H2,1-2H3,(H,26,29)
InChIKeyGFMRIFXLIUPAFX-UHFFFAOYSA-N
XLogP3.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide (CID 126744800) is N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(CCN2CCC3(CC2)CN(c2ccccc2)C(=O)C(C)O3)c1.
What is the InChIKey of N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide?
The InChIKey is GFMRIFXLIUPAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-19-24(30)28(23-9-4-3-5-10-23)18-25(31-19)12-15-27(16-13-25)14-11-21-7-6-8-22(17-21)26-20(2)29/h3-10,17,19H,11-16,18H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide?
N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]acetamide is sourced from PubChem (CID 126744800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).