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

C21H28N4O4 — CID 9493069

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

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 9493069) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 9493069
• Molecular Formula: C21H28N4O4
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.21
• IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1
• InChI: InChI=1S/C21H28N4O4/c1-14-7-9-16(10-8-14)22-17(26)12-24(3)18(27)13-25-19(28)21(23-20(25)29)11-5-4-6-15(21)2/h7-10,15H,4-6,11-13H2,1-3H3,(H,22,26)(H,23,29)/t15-,21-/m0/s1
• InChIKey: HAKFIOYLFDBBEU-BTYIYWSLSA-N
• XLogP: 1.89
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	1.89
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-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 9493069) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

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

The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1.

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

The InChIKey is HAKFIOYLFDBBEU-BTYIYWSLSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-7-9-16(10-8-14)22-17(26)12-24(3)18(27)13-25-19(28)21(23-20(25)29)11-5-4-6-15(21)2/h7-10,15H,4-6,11-13H2,1-3H3,(H,22,26)(H,23,29)/t15-,21-/m0/s1.

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

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 9493069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).