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

C18H24N4O4 — CID 27056892

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
SMILESCOc1ccc(C)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H24N4O4/c1-12-6-7-14(26-2)13(10-12)19-11-15(23)21-22-16(24)18(20-17(22)25)8-4-3-5-9-18/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyLROHHLQHHFFUEF-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.70
Rot. Bonds5

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

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide (PubChem CID 27056892) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
PubChem CID27056892
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
SMILESCOc1ccc(C)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H24N4O4/c1-12-6-7-14(26-2)13(10-12)19-11-15(23)21-22-16(24)18(20-17(22)25)8-4-3-5-9-18/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyLROHHLQHHFFUEF-UHFFFAOYSA-N
XLogP1.70
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
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 N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide (CID 27056892) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide is COc1ccc(C)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide?
The InChIKey is LROHHLQHHFFUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-6-7-14(26-2)13(10-12)19-11-15(23)21-22-16(24)18(20-17(22)25)8-4-3-5-9-18/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,25)(H,21,23).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide has a molecular weight of 360.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide is sourced from PubChem (CID 27056892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).