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

C17H21ClN4O4 — CID 24533725

IUPAC2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H21ClN4O4/c1-26-13-6-5-11(18)9-12(13)19-10-14(23)21-22-15(24)17(20-16(22)25)7-3-2-4-8-17/h5-6,9,19H,2-4,7-8,10H2,1H3,(H,20,25)(H,21,23)
InChIKeyZEVUTSCJTAWMCI-UHFFFAOYSA-N
MW380.83 g/mol
LogP2.05
Rot. Bonds5

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

2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24533725) has the molecular formula C17H21ClN4O4 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID24533725
Molecular FormulaC17H21ClN4O4
Molecular Weight380.83 g/mol
Exact Mass380.13
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H21ClN4O4/c1-26-13-6-5-11(18)9-12(13)19-10-14(23)21-22-15(24)17(20-16(22)25)7-3-2-4-8-17/h5-6,9,19H,2-4,7-8,10H2,1H3,(H,20,25)(H,21,23)
InChIKeyZEVUTSCJTAWMCI-UHFFFAOYSA-N
XLogP2.05
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 52.05
H-Bond Donors ≤ 53
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)-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
3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide
CID 27532791
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3,4,5-trimethoxybenzamide
CID 8873673
2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27056879
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891326
(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8538402
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 24557174
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46806460
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide
CID 27056903
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533737
N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
CID 43179785

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24533725) is 2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc(Cl)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is ZEVUTSCJTAWMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O4/c1-26-13-6-5-11(18)9-12(13)19-10-14(23)21-22-15(24)17(20-16(22)25)7-3-2-4-8-17/h5-6,9,19H,2-4,7-8,10H2,1H3,(H,20,25)(H,21,23).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 380.83 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24533725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).