N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide

C18H24ClN3O2 — CID 134070508

IUPACN-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCN1C(=O)CCCC12CCCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C18H24ClN3O2/c1-2-22-16(23)5-3-10-18(22)11-4-12-21(13-18)17(24)20-15-8-6-14(19)7-9-15/h6-9H,2-5,10-13H2,1H3,(H,20,24)
InChIKeyCHYKUOZCXAQIJF-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.74
Rot. Bonds2

About N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide

N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 134070508) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID134070508
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCN1C(=O)CCCC12CCCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C18H24ClN3O2/c1-2-22-16(23)5-3-10-18(22)11-4-12-21(13-18)17(24)20-15-8-6-14(19)7-9-15/h6-9H,2-5,10-13H2,1H3,(H,20,24)
InChIKeyCHYKUOZCXAQIJF-UHFFFAOYSA-N
XLogP3.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-1-ethyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495478
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CID 134072985
(6S)-1-methyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495388
1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117346
(3R)-1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087961
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N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide
CID 9166248
(5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97439023
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
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3-(3-amino-3-oxopropyl)-N-(4-chlorophenyl)-3-phenylpiperidine-1-carboxamide
CID 46882951
(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495385
(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97191054

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide (CID 134070508) is N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide is CCN1C(=O)CCCC12CCCN(C(=O)Nc1ccc(Cl)cc1)C2.
What is the InChIKey of N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is CHYKUOZCXAQIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-2-22-16(23)5-3-10-18(22)11-4-12-21(13-18)17(24)20-15-8-6-14(19)7-9-15/h6-9H,2-5,10-13H2,1H3,(H,20,24).
What are the key properties of N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 134070508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).