2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C22H32N4O3 — CID 42154804

IUPAC2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O
InChIInChI=1S/C22H32N4O3/c1-4-10-22(11-5-2)20(28)26(21(29)24-22)15-19(27)23-18-9-8-17(14-16(18)3)25-12-6-7-13-25/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,23,27)(H,24,29)
InChIKeyRBFSPHSDFNUDTC-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.42
Rot. Bonds8

About 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 42154804) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID42154804
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O
InChIInChI=1S/C22H32N4O3/c1-4-10-22(11-5-2)20(28)26(21(29)24-22)15-19(27)23-18-9-8-17(14-16(18)3)25-12-6-7-13-25/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,23,27)(H,24,29)
InChIKeyRBFSPHSDFNUDTC-UHFFFAOYSA-N
XLogP3.42
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 46606177
N-(2,5-dimethylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2579807
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2579695
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 7242029
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 51177673
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 7241991
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55987630
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8982182

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 42154804) is 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O.
What is the InChIKey of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is RBFSPHSDFNUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-4-10-22(11-5-2)20(28)26(21(29)24-22)15-19(27)23-18-9-8-17(14-16(18)3)25-12-6-7-13-25/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,23,27)(H,24,29).
What are the key properties of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 400.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 42154804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).