(3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate

C18H20Cl2N2O4 — CID 8671608

IUPAC(3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O4/c19-13-6-5-12(10-14(13)20)11-26-15(23)4-3-9-22-16(24)18(21-17(22)25)7-1-2-8-18/h5-6,10H,1-4,7-9,11H2,(H,21,25)
InChIKeyOCMOOECRYBWNBA-UHFFFAOYSA-N
MW399.27 g/mol
LogP3.68
Rot. Bonds6

About (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate

(3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate (PubChem CID 8671608) has the molecular formula C18H20Cl2N2O4 and a molecular weight of 399.27 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
PubChem CID8671608
Molecular FormulaC18H20Cl2N2O4
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name(3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O4/c19-13-6-5-12(10-14(13)20)11-26-15(23)4-3-9-22-16(24)18(21-17(22)25)7-1-2-8-18/h5-6,10H,1-4,7-9,11H2,(H,21,25)
InChIKeyOCMOOECRYBWNBA-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichlorophenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 8840162
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671671
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671606
(2,4-dichlorophenyl)methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703126
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 42983006
(5-chlorothiadiazol-4-yl)methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 38907605
(3,4-dichlorophenyl)methyl docosanoate
CID 90980389
(3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708848
hydrazinyl 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337140
[4-(2-cyanophenyl)phenyl]methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 31146910
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(methoxymethyl)phenyl]methyl]butanamide
CID 55615122
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671767

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate?
The IUPAC name of (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate (CID 8671608) is (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate is O=C(CCCN1C(=O)NC2(CCCC2)C1=O)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate?
The InChIKey is OCMOOECRYBWNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4/c19-13-6-5-12(10-14(13)20)11-26-15(23)4-3-9-22-16(24)18(21-17(22)25)7-1-2-8-18/h5-6,10H,1-4,7-9,11H2,(H,21,25).
What are the key properties of (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate?
(3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate has a molecular weight of 399.27 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate is sourced from PubChem (CID 8671608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).