N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide

C14H17N3O2 — CID 166408163

IUPACN-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-3-13(18)16-10(2)11-4-6-12(7-5-11)17-9-8-15-14(17)19/h3-7,10H,1,8-9H2,2H3,(H,15,19)(H,16,18)
InChIKeyVHKXHKWJIWWUNE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.58
Rot. Bonds4

About N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide

N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide (PubChem CID 166408163) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide
PubChem CID166408163
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-3-13(18)16-10(2)11-4-6-12(7-5-11)17-9-8-15-14(17)19/h3-7,10H,1,8-9H2,2H3,(H,15,19)(H,16,18)
InChIKeyVHKXHKWJIWWUNE-UHFFFAOYSA-N
XLogP1.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide (CID 166408163) is N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide is C=CC(=O)NC(C)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide?
The InChIKey is VHKXHKWJIWWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-13(18)16-10(2)11-4-6-12(7-5-11)17-9-8-15-14(17)19/h3-7,10H,1,8-9H2,2H3,(H,15,19)(H,16,18).
What are the key properties of N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide?
N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide has a molecular weight of 259.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 166408163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).