2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C20H26N4O5 — CID 9438370

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C20H26N4O5/c1-23(12-16(25)21-14-6-8-15(29-2)9-7-14)17(26)13-24-18(27)20(22-19(24)28)10-4-3-5-11-20/h6-9H,3-5,10-13H2,1-2H3,(H,21,25)(H,22,28)
InChIKeyUHCCIOHIIWPGBM-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.35
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 9438370) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID9438370
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C20H26N4O5/c1-23(12-16(25)21-14-6-8-15(29-2)9-7-14)17(26)13-24-18(27)20(22-19(24)28)10-4-3-5-11-20/h6-9H,3-5,10-13H2,1-2H3,(H,21,25)(H,22,28)
InChIKeyUHCCIOHIIWPGBM-UHFFFAOYSA-N
XLogP1.35
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 9438370) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is UHCCIOHIIWPGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-23(12-16(25)21-14-6-8-15(29-2)9-7-14)17(26)13-24-18(27)20(22-19(24)28)10-4-3-5-11-20/h6-9H,3-5,10-13H2,1-2H3,(H,21,25)(H,22,28).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 402.45 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 9438370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).