N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide

C32H37N3O2 — CID 11397835

IUPACN-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(CCN(CCC(c4ccccc4)c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C32H37N3O2/c1-25(36)33-29-14-12-26(13-15-29)24-35-23-19-32(31(35)37)17-21-34(22-18-32)20-16-30(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h2-15,30H,16-24H2,1H3,(H,33,36)
InChIKeyHBSUQUTWUIJHDV-UHFFFAOYSA-N
MW495.67 g/mol
LogP5.68
Rot. Bonds8

About N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide

N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide (PubChem CID 11397835) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide
PubChem CID11397835
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(CCN(CCC(c4ccccc4)c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C32H37N3O2/c1-25(36)33-29-14-12-26(13-15-29)24-35-23-19-32(31(35)37)17-21-34(22-18-32)20-16-30(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h2-15,30H,16-24H2,1H3,(H,33,36)
InChIKeyHBSUQUTWUIJHDV-UHFFFAOYSA-N
XLogP5.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide (CID 11397835) is N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC3(CCN(CCC(c4ccccc4)c4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide?
The InChIKey is HBSUQUTWUIJHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-25(36)33-29-14-12-26(13-15-29)24-35-23-19-32(31(35)37)17-21-34(22-18-32)20-16-30(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h2-15,30H,16-24H2,1H3,(H,33,36).
What are the key properties of N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide?
N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide has a molecular weight of 495.67 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[8-(3,3-diphenylpropyl)-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 11397835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).