4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide

C20H20N4O2 — CID 4275353

IUPAC4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
SMILESO=C(C=CC(=O)N1CCCC1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(12-13-20(26)24-14-4-5-15-24)21-16-8-10-18(11-9-16)23-22-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2,(H,21,25)/b13-12?,23-22+
InChIKeyNSSNSDCHPYOYPG-FEIYYIATSA-N
MW348.41 g/mol
LogP4.22
Rot. Bonds5

About 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide

4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide (PubChem CID 4275353) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide.

Molecular Properties

Compound Name4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
PubChem CID4275353
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
SMILESO=C(C=CC(=O)N1CCCC1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(12-13-20(26)24-14-4-5-15-24)21-16-8-10-18(11-9-16)23-22-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2,(H,21,25)/b13-12?,23-22+
InChIKeyNSSNSDCHPYOYPG-FEIYYIATSA-N
XLogP4.22
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
CID 6055762
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
(E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-phenylbut-2-enamide
CID 9340890
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 73272877
(E)-4-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-N-(4-fluorophenyl)-4-oxobut-2-enamide
CID 110009436
3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5200736
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide?
The IUPAC name of 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide (CID 4275353) is 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide.
What is the SMILES notation for 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide?
The canonical SMILES for 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide is O=C(C=CC(=O)N1CCCC1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide?
The InChIKey is NSSNSDCHPYOYPG-FEIYYIATSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(12-13-20(26)24-14-4-5-15-24)21-16-8-10-18(11-9-16)23-22-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-15H2,(H,21,25)/b13-12?,23-22+.
What are the key properties of 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide?
4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide has a molecular weight of 348.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide is sourced from PubChem (CID 4275353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).