N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide

C13H13N3O2 — CID 107989836

IUPACN-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C13H13N3O2/c1-2-3-12(17)15-10-4-6-11(7-5-10)16-9-8-14-13(16)18/h4-7H,8-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyZSQCYTBWBOBFQE-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.18
Rot. Bonds2

About N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide

N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide (PubChem CID 107989836) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide.

Molecular Properties

Compound NameN-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide
PubChem CID107989836
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C13H13N3O2/c1-2-3-12(17)15-10-4-6-11(7-5-10)16-9-8-14-13(16)18/h4-7H,8-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyZSQCYTBWBOBFQE-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 43709823
2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276066
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 78917136
(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119276073
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 61178236
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
2-(carbamoylamino)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 60707218
4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 78831513
N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593546
3-(dimethylamino)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299898
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide?
The IUPAC name of N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide (CID 107989836) is N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide.
What is the SMILES notation for N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide?
The canonical SMILES for N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide is CC#CC(=O)Nc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide?
The InChIKey is ZSQCYTBWBOBFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-3-12(17)15-10-4-6-11(7-5-10)16-9-8-14-13(16)18/h4-7H,8-9H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide?
N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide has a molecular weight of 243.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide is sourced from PubChem (CID 107989836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).