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

C27H26ClN3O3 — CID 69321852

IUPAC3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2
InChIInChI=1S/C27H26ClN3O3/c28-22-8-6-21(7-9-22)25-18-27(34-30-25)14-16-31(17-15-27)26(32)29-23-10-12-24(13-11-23)33-19-20-4-2-1-3-5-20/h1-13H,14-19H2,(H,29,32)
InChIKeyGBYCIOSUBZSLME-UHFFFAOYSA-N
MW475.98 g/mol
LogP6.11
Rot. Bonds5

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

3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 69321852) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
PubChem CID69321852
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2
InChIInChI=1S/C27H26ClN3O3/c28-22-8-6-21(7-9-22)25-18-27(34-30-25)14-16-31(17-15-27)26(32)29-23-10-12-24(13-11-23)33-19-20-4-2-1-3-5-20/h1-13H,14-19H2,(H,29,32)
InChIKeyGBYCIOSUBZSLME-UHFFFAOYSA-N
XLogP6.11
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 11964911
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
N-(3-methylsulfanylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 11964833
3-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 69318732
3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid
CID 69317469
3-(3-methoxyphenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 69322981
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate
CID 69279859
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
3-phenyl-N-[2-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 11965304
4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 58462419

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (CID 69321852) is 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The InChIKey is GBYCIOSUBZSLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c28-22-8-6-21(7-9-22)25-18-27(34-30-25)14-16-31(17-15-27)26(32)29-23-10-12-24(13-11-23)33-19-20-4-2-1-3-5-20/h1-13H,14-19H2,(H,29,32).
What are the key properties of 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 69321852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).