N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C17H20ClN3O6 — CID 91891702

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1Cl
InChIInChI=1S/C17H20ClN3O6/c1-25-12-8-13(26-2)11(7-10(12)18)19-14(22)9-21-15(23)17(20-16(21)24)3-5-27-6-4-17/h7-8H,3-6,9H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyKARZBXCFAHIWCZ-UHFFFAOYSA-N
MW397.82 g/mol
LogP1.40
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 91891702) has the molecular formula C17H20ClN3O6 and a molecular weight of 397.82 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID91891702
Molecular FormulaC17H20ClN3O6
Molecular Weight397.82 g/mol
Exact Mass397.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1Cl
InChIInChI=1S/C17H20ClN3O6/c1-25-12-8-13(26-2)11(7-10(12)18)19-14(22)9-21-15(23)17(20-16(21)24)3-5-27-6-4-17/h7-8H,3-6,9H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyKARZBXCFAHIWCZ-UHFFFAOYSA-N
XLogP1.40
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18292290
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24571912
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 46665897
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622579
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24567519
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7610599
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2711778
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 3962931
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 3297392
N-(2-methoxyphenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892504
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2462481
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4553627

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 91891702) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1cc(OC)c(NC(=O)CN2C(=O)NC3(CCOCC3)C2=O)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is KARZBXCFAHIWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O6/c1-25-12-8-13(26-2)11(7-10(12)18)19-14(22)9-21-15(23)17(20-16(21)24)3-5-27-6-4-17/h7-8H,3-6,9H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 397.82 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 91891702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).