N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C24H28FN3O2 — CID 90903267

IUPACN-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCC3(C=C(c4ccc(F)cc4)NO3)CC2)cc1
InChIInChI=1S/C24H28FN3O2/c1-23(2,3)18-6-10-20(11-7-18)26-22(29)28-14-12-24(13-15-28)16-21(27-30-24)17-4-8-19(25)9-5-17/h4-11,16,27H,12-15H2,1-3H3,(H,26,29)
InChIKeyAPEJCWQCJOCRKH-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.07
Rot. Bonds2

About N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 90903267) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID90903267
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCC3(C=C(c4ccc(F)cc4)NO3)CC2)cc1
InChIInChI=1S/C24H28FN3O2/c1-23(2,3)18-6-10-20(11-7-18)26-22(29)28-14-12-24(13-15-28)16-21(27-30-24)17-4-8-19(25)9-5-17/h4-11,16,27H,12-15H2,1-3H3,(H,26,29)
InChIKeyAPEJCWQCJOCRKH-UHFFFAOYSA-N
XLogP5.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 49862958
1-Benzyl-3-(3-fluoro-4-methylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711498
4-Acetylamino-4-(4-fluoro-phenyl)-piperidine-1-carboxylic acid (2,4-difluoro-phenyl)-amide
CID 1444048
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide
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N-(3-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3595370
N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 6467355
4-o-Tolyl-piperidine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
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1-(1-Ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]urea
CID 16020961

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 90903267) is N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCC3(C=C(c4ccc(F)cc4)NO3)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is APEJCWQCJOCRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-23(2,3)18-6-10-20(11-7-18)26-22(29)28-14-12-24(13-15-28)16-21(27-30-24)17-4-8-19(25)9-5-17/h4-11,16,27H,12-15H2,1-3H3,(H,26,29).
What are the key properties of N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 90903267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).