3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide

C17H20ClN3O5 — CID 27532791

IUPAC3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc(Cl)c1OC
InChIInChI=1S/C17H20ClN3O5/c1-25-12-9-10(8-11(18)13(12)26-2)14(22)20-21-15(23)17(19-16(21)24)6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyQPOSWAHVVBGXNM-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.26
Rot. Bonds4

About 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide

3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide (PubChem CID 27532791) has the molecular formula C17H20ClN3O5 and a molecular weight of 381.82 g/mol. Its IUPAC name is 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide
PubChem CID27532791
Molecular FormulaC17H20ClN3O5
Molecular Weight381.82 g/mol
Exact Mass381.11
IUPAC Name3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc(Cl)c1OC
InChIInChI=1S/C17H20ClN3O5/c1-25-12-9-10(8-11(18)13(12)26-2)14(22)20-21-15(23)17(19-16(21)24)6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyQPOSWAHVVBGXNM-UHFFFAOYSA-N
XLogP2.26
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3,4,5-trimethoxybenzamide
CID 8873673
3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 52990929
4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide
CID 18268474
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide
CID 55768059
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 8873669
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
CID 27056892
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 9136775
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27532971
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 24557174

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide (CID 27532791) is 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide is COc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide?
The InChIKey is QPOSWAHVVBGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5/c1-25-12-9-10(8-11(18)13(12)26-2)14(22)20-21-15(23)17(19-16(21)24)6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide?
3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide has a molecular weight of 381.82 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 27532791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).