ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide

C24H34N4O2 — CID 91605331

IUPACethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide
SMILESCC.CC.O=C1CC2(CCN(c3ccccc3)CC2)N(C(=O)Nc2ccccc2)N1
InChIInChI=1S/C20H22N4O2.2C2H6/c25-18-15-20(11-13-23(14-12-20)17-9-5-2-6-10-17)24(22-18)19(26)21-16-7-3-1-4-8-16;2*1-2/h1-10H,11-15H2,(H,21,26)(H,22,25);2*1-2H3
InChIKeyJFRPHIKUVFYKPZ-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.05
Rot. Bonds2

About ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide

ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide (PubChem CID 91605331) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound Nameethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide
PubChem CID91605331
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Nameethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide
SMILESCC.CC.O=C1CC2(CCN(c3ccccc3)CC2)N(C(=O)Nc2ccccc2)N1
InChIInChI=1S/C20H22N4O2.2C2H6/c25-18-15-20(11-13-23(14-12-20)17-9-5-2-6-10-17)24(22-18)19(26)21-16-7-3-1-4-8-16;2*1-2/h1-10H,11-15H2,(H,21,26)(H,22,25);2*1-2H3
InChIKeyJFRPHIKUVFYKPZ-UHFFFAOYSA-N
XLogP5.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-8-(4-nitrosophenyl)-3-oxo-1,2,8-triazaspiro[4.5]decane-1-carboxamide
CID 89009311
3-oxo-N-phenylpyrazolidine-1-carboxamide
CID 1482220
8-(4-nitrophenyl)-3-oxo-N-phenyl-1,2,8-triazaspiro[4.5]decane-2-carboxamide
CID 25061612
6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131645592
ethane;4-phenylpiperazine-2,6-dione
CID 142623304
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide
CID 2831867
N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140121
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
CID 4585152
3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 14140660
4-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204

Frequently Asked Questions

What is the IUPAC name of ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide (CID 91605331) is ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide is CC.CC.O=C1CC2(CCN(c3ccccc3)CC2)N(C(=O)Nc2ccccc2)N1.
What is the InChIKey of ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide?
The InChIKey is JFRPHIKUVFYKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.2C2H6/c25-18-15-20(11-13-23(14-12-20)17-9-5-2-6-10-17)24(22-18)19(26)21-16-7-3-1-4-8-16;2*1-2/h1-10H,11-15H2,(H,21,26)(H,22,25);2*1-2H3.
What are the key properties of ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide?
ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 91605331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).