2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C22H30N4O4 — CID 2583554

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1
InChIInChI=1S/C22H30N4O4/c1-16-8-10-17(11-9-16)23-18(27)14-25(2)19(28)15-26-20(29)22(24-21(26)30)12-6-4-3-5-7-13-22/h8-11H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,30)
InChIKeyZVWSGNZBPJUNIG-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.43
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 2583554) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID2583554
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1
InChIInChI=1S/C22H30N4O4/c1-16-8-10-17(11-9-16)23-18(27)14-25(2)19(28)15-26-20(29)22(24-21(26)30)12-6-4-3-5-7-13-22/h8-11H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,30)
InChIKeyZVWSGNZBPJUNIG-UHFFFAOYSA-N
XLogP2.43
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581350
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2578515
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093728
N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide
CID 9362019
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093828
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 4841971
2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 17484602

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 2583554) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is ZVWSGNZBPJUNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-16-8-10-17(11-9-16)23-18(27)14-25(2)19(28)15-26-20(29)22(24-21(26)30)12-6-4-3-5-7-13-22/h8-11H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,30).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 2583554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).