2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide

C14H18N4O2 — CID 62678312

IUPAC2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide
SMILESNc1ccc(N2CCN(CC(=O)NC3CC3)C2=O)cc1
InChIInChI=1S/C14H18N4O2/c15-10-1-5-12(6-2-10)18-8-7-17(14(18)20)9-13(19)16-11-3-4-11/h1-2,5-6,11H,3-4,7-9,15H2,(H,16,19)
InChIKeyFGXNIAOKYVJZFP-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.79
Rot. Bonds4

About 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide

2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide (PubChem CID 62678312) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide
PubChem CID62678312
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide
SMILESNc1ccc(N2CCN(CC(=O)NC3CC3)C2=O)cc1
InChIInChI=1S/C14H18N4O2/c15-10-1-5-12(6-2-10)18-8-7-17(14(18)20)9-13(19)16-11-3-4-11/h1-2,5-6,11H,3-4,7-9,15H2,(H,16,19)
InChIKeyFGXNIAOKYVJZFP-UHFFFAOYSA-N
XLogP0.79
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide (CID 62678312) is 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide is Nc1ccc(N2CCN(CC(=O)NC3CC3)C2=O)cc1.
What is the InChIKey of 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide?
The InChIKey is FGXNIAOKYVJZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-10-1-5-12(6-2-10)18-8-7-17(14(18)20)9-13(19)16-11-3-4-11/h1-2,5-6,11H,3-4,7-9,15H2,(H,16,19).
What are the key properties of 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide?
2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide has a molecular weight of 274.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 62678312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).