(3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide

C20H21N3O2 — CID 97245775

IUPAC(3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide
SMILESC=CC(CC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-15(16-7-4-3-5-8-16)13-19(24)22-17-9-6-10-18(14-17)23-12-11-21-20(23)25/h2-10,14-15H,1,11-13H2,(H,21,25)(H,22,24)
InChIKeyJMHWSGFGASEZSI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.51
Rot. Bonds6

About (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide

(3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide (PubChem CID 97245775) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide.

Molecular Properties

Compound Name(3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide
PubChem CID97245775
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide
SMILESC=CC(CC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-15(16-7-4-3-5-8-16)13-19(24)22-17-9-6-10-18(14-17)23-12-11-21-20(23)25/h2-10,14-15H,1,11-13H2,(H,21,25)(H,22,24)
InChIKeyJMHWSGFGASEZSI-UHFFFAOYSA-N
XLogP3.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 47036521
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
4-(4-chlorophenyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55779261
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(1-phenylethoxy)pyridine-3-carboxamide
CID 47047407
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 94799953
4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55716802
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide
CID 55717079

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide?
The IUPAC name of (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide (CID 97245775) is (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide.
What is the SMILES notation for (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide?
The canonical SMILES for (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide is C=CC(CC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccccc1.
What is the InChIKey of (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide?
The InChIKey is JMHWSGFGASEZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-15(16-7-4-3-5-8-16)13-19(24)22-17-9-6-10-18(14-17)23-12-11-21-20(23)25/h2-10,14-15H,1,11-13H2,(H,21,25)(H,22,24).
What are the key properties of (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide?
(3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide has a molecular weight of 335.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-phenylpent-4-enamide is sourced from PubChem (CID 97245775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).