3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C22H24ClN3O2 — CID 91271339

IUPAC3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-19-8-6-18(7-9-19)20-16-22(28-25-20)11-14-26(15-12-22)21(27)24-13-10-17-4-2-1-3-5-17/h1-9,16,25H,10-15H2,(H,24,27)
InChIKeySBRUGMNGHHVAGV-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.00
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91271339) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID91271339
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-19-8-6-18(7-9-19)20-16-22(28-25-20)11-14-26(15-12-22)21(27)24-13-10-17-4-2-1-3-5-17/h1-9,16,25H,10-15H2,(H,24,27)
InChIKeySBRUGMNGHHVAGV-UHFFFAOYSA-N
XLogP4.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
1-[1-(4-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10762432
3-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-one
CID 21465523
5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
CID 21465541
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90708567
N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91141557
3-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91238536
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91345361
3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91454283
3-(4-chlorophenyl)-N-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91473365
3-(4-chlorophenyl)-N-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91482749
3,4-Dihydro-6-(4-chlorophenyl)-4-phenylpyrimidin-2(1h)-one
CID 11666365

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91271339) is 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is O=C(NCCc1ccccc1)N1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is SBRUGMNGHHVAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-19-8-6-18(7-9-19)20-16-22(28-25-20)11-14-26(15-12-22)21(27)24-13-10-17-4-2-1-3-5-17/h1-9,16,25H,10-15H2,(H,24,27).
What are the key properties of 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91271339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).