N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C22H24ClN3O2 — CID 155874709

IUPACN-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=NOC2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C22H24ClN3O2/c23-18-8-4-9-19(14-18)24-21(27)20-15-22(28-25-20)11-5-12-26(16-22)13-10-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,15-16H2,(H,24,27)
InChIKeyOGQIYGJMADOWEW-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.13
Rot. Bonds5

About N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 155874709) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID155874709
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=NOC2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C22H24ClN3O2/c23-18-8-4-9-19(14-18)24-21(27)20-15-22(28-25-20)11-5-12-26(16-22)13-10-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,15-16H2,(H,24,27)
InChIKeyOGQIYGJMADOWEW-UHFFFAOYSA-N
XLogP4.13
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 155874709) is N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1=NOC2(CCCN(CCc3ccccc3)C2)C1.
What is the InChIKey of N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is OGQIYGJMADOWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-18-8-4-9-19(14-18)24-21(27)20-15-22(28-25-20)11-5-12-26(16-22)13-10-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,15-16H2,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 155874709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).