2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

C16H26N4O3 — CID 128935614

IUPAC2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C16H26N4O3/c1-3-19-8-4-5-12(19)9-17-13(21)10-20-14(22)16(2,11-6-7-11)18-15(20)23/h11-12H,3-10H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyNSPIWGGXUYMGGE-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.31
Rot. Bonds6

About 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 128935614) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
PubChem CID128935614
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C16H26N4O3/c1-3-19-8-4-5-12(19)9-17-13(21)10-20-14(22)16(2,11-6-7-11)18-15(20)23/h11-12H,3-10H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyNSPIWGGXUYMGGE-UHFFFAOYSA-N
XLogP0.31
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (CID 128935614) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is CCN1CCCC1CNC(=O)CN1C(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is NSPIWGGXUYMGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-19-8-4-5-12(19)9-17-13(21)10-20-14(22)16(2,11-6-7-11)18-15(20)23/h11-12H,3-10H2,1-2H3,(H,17,21)(H,18,23).
What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 128935614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).