N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide

C17H19N3O3 — CID 2594236

IUPACN-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide
SMILESC=C(NNC(=O)c1cc(C)oc1C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H19N3O3/c1-10-8-16(12(3)23-10)17(22)20-19-11(2)14-6-5-7-15(9-14)18-13(4)21/h5-9,19H,2H2,1,3-4H3,(H,18,21)(H,20,22)
InChIKeyKKGYYJZBKGUOLZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.76
Rot. Bonds5

About N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide

N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide (PubChem CID 2594236) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide
PubChem CID2594236
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide
SMILESC=C(NNC(=O)c1cc(C)oc1C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H19N3O3/c1-10-8-16(12(3)23-10)17(22)20-19-11(2)14-6-5-7-15(9-14)18-13(4)21/h5-9,19H,2H2,1,3-4H3,(H,18,21)(H,20,22)
InChIKeyKKGYYJZBKGUOLZ-UHFFFAOYSA-N
XLogP2.76
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
CID 7808968
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
N-[3-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2456651
N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2690799
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2341738
methyl 3-[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]ethynyl]benzoate
CID 38088094
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277099
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide (CID 2594236) is N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide is C=C(NNC(=O)c1cc(C)oc1C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide?
The InChIKey is KKGYYJZBKGUOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-8-16(12(3)23-10)17(22)20-19-11(2)14-6-5-7-15(9-14)18-13(4)21/h5-9,19H,2H2,1,3-4H3,(H,18,21)(H,20,22).
What are the key properties of N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide?
N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 2594236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).