N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C22H30N4O4 — CID 8571576

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 8571576) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 8571576
• Molecular Formula: C22H30N4O4
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.23
• IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O
• InChI: InChI=1S/C22H30N4O4/c1-14-8-7-9-15(2)19(14)23-17(27)12-25(4)18(28)13-26-20(29)22(24-21(26)30)11-6-5-10-16(22)3/h7-9,16H,5-6,10-13H2,1-4H3,(H,23,27)(H,24,30)/t16-,22+/m1/s1
• InChIKey: PCYYEBDWCFWHPW-ZHRRBRCNSA-N
• XLogP: 2.20
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 8571576) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O.

What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is PCYYEBDWCFWHPW-ZHRRBRCNSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-14-8-7-9-15(2)19(14)23-17(27)12-25(4)18(28)13-26-20(29)22(24-21(26)30)11-6-5-10-16(22)3/h7-9,16H,5-6,10-13H2,1-4H3,(H,23,27)(H,24,30)/t16-,22+/m1/s1.

What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 8571576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).