N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C24H34ClN3O4 — CID 25163241

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)CCOc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C24H34ClN3O4/c1-5-23(2,3)17-10-12-24(13-11-17)21(30)28(22(31)26-24)16-20(29)27(4)14-15-32-19-8-6-18(25)7-9-19/h6-9,17H,5,10-16H2,1-4H3,(H,26,31)
InChIKeyUZZUYNKBKIUIOG-UHFFFAOYSA-N
MW464.01 g/mol
LogP4.09
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 25163241) has the molecular formula C24H34ClN3O4 and a molecular weight of 464.01 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID25163241
Molecular FormulaC24H34ClN3O4
Molecular Weight464.01 g/mol
Exact Mass463.22
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)CCOc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C24H34ClN3O4/c1-5-23(2,3)17-10-12-24(13-11-17)21(30)28(22(31)26-24)16-20(29)27(4)14-15-32-19-8-6-18(25)7-9-19/h6-9,17H,5,10-16H2,1-4H3,(H,26,31)
InChIKeyUZZUYNKBKIUIOG-UHFFFAOYSA-N
XLogP4.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 25163241) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)CCOc1ccc(Cl)cc1)C2=O.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is UZZUYNKBKIUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O4/c1-5-23(2,3)17-10-12-24(13-11-17)21(30)28(22(31)26-24)16-20(29)27(4)14-15-32-19-8-6-18(25)7-9-19/h6-9,17H,5,10-16H2,1-4H3,(H,26,31).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 464.01 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 25163241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).