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

C17H20ClN3O3 — CID 134075704

IUPACN-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCCC(=O)N1CCCC2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1
InChIInChI=1S/C17H20ClN3O3/c1-2-15(22)21-8-4-7-17(11-21)10-14(20-24-17)16(23)19-13-6-3-5-12(18)9-13/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,19,23)
InChIKeyVZBWALNYXPACBG-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.83
Rot. Bonds3

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

N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 134075704) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID134075704
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCCC(=O)N1CCCC2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1
InChIInChI=1S/C17H20ClN3O3/c1-2-15(22)21-8-4-7-17(11-21)10-14(20-24-17)16(23)19-13-6-3-5-12(18)9-13/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,19,23)
InChIKeyVZBWALNYXPACBG-UHFFFAOYSA-N
XLogP2.83
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079601
N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079607
N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155876407
N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155874709
9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691424
(5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97396034
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681
(5R)-9-N-(4-ethylphenyl)-3-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490790
(5S)-9-(3-methylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490769
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691420
9-(3,5-dimethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075172
N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691289

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 134075704) is N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CCC(=O)N1CCCC2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1.
What is the InChIKey of N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is VZBWALNYXPACBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-2-15(22)21-8-4-7-17(11-21)10-14(20-24-17)16(23)19-13-6-3-5-12(18)9-13/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.83, 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-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 134075704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).