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

C17H22ClN3O2 — CID 155876407

IUPACN-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCC(C)N1CCCC2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1
InChIInChI=1S/C17H22ClN3O2/c1-12(2)21-8-4-7-17(11-21)10-15(20-23-17)16(22)19-14-6-3-5-13(18)9-14/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyVSKDFCRLIDXPCJ-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.30
Rot. Bonds3

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

N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 155876407) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID155876407
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCC(C)N1CCCC2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1
InChIInChI=1S/C17H22ClN3O2/c1-12(2)21-8-4-7-17(11-21)10-15(20-23-17)16(22)19-14-6-3-5-13(18)9-14/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyVSKDFCRLIDXPCJ-UHFFFAOYSA-N
XLogP3.30
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.30
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-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 155876407) is N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CC(C)N1CCCC2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1.
What is the InChIKey of N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is VSKDFCRLIDXPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-12(2)21-8-4-7-17(11-21)10-15(20-23-17)16(22)19-14-6-3-5-13(18)9-14/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 155876407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).