N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide

C21H27FN6O3 — CID 56571223

IUPACN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)C1=O
InChIInChI=1S/C21H27FN6O3/c1-4-21(2)19(30)28(20(31)23-21)26-18(29)13-27(3)11-5-6-16-12-17(25-24-16)14-7-9-15(22)10-8-14/h7-10,12H,4-6,11,13H2,1-3H3,(H,23,31)(H,24,25)(H,26,29)
InChIKeyMJCGIHQBFTUOCD-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.83
Rot. Bonds9

About N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide (PubChem CID 56571223) has the molecular formula C21H27FN6O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
PubChem CID56571223
Molecular FormulaC21H27FN6O3
Molecular Weight430.48 g/mol
Exact Mass430.21
IUPAC NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)C1=O
InChIInChI=1S/C21H27FN6O3/c1-4-21(2)19(30)28(20(31)23-21)26-18(29)13-27(3)11-5-6-16-12-17(25-24-16)14-7-9-15(22)10-8-14/h7-10,12H,4-6,11,13H2,1-3H3,(H,23,31)(H,24,25)(H,26,29)
InChIKeyMJCGIHQBFTUOCD-UHFFFAOYSA-N
XLogP1.83
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.83
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-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide (CID 56571223) is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide.
What is the SMILES notation for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The canonical SMILES for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide is CCC1(C)NC(=O)N(NC(=O)CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)C1=O.
What is the InChIKey of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The InChIKey is MJCGIHQBFTUOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O3/c1-4-21(2)19(30)28(20(31)23-21)26-18(29)13-27(3)11-5-6-16-12-17(25-24-16)14-7-9-15(22)10-8-14/h7-10,12H,4-6,11,13H2,1-3H3,(H,23,31)(H,24,25)(H,26,29).
What are the key properties of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide has a molecular weight of 430.48 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide is sourced from PubChem (CID 56571223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).