N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide

C13H17N3O2 — CID 170489043

IUPACN-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H17N3O2/c1-10(17)15-9-3-2-4-11-5-7-12(8-6-11)13(18)16-14/h2,4-8H,3,9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyXFRJPAVPEFCPJE-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.83
Rot. Bonds5

About N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide

N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide (PubChem CID 170489043) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
PubChem CID170489043
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H17N3O2/c1-10(17)15-9-3-2-4-11-5-7-12(8-6-11)13(18)16-14/h2,4-8H,3,9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyXFRJPAVPEFCPJE-UHFFFAOYSA-N
XLogP0.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide
CID 170489078
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-[4-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488172
N-[4-(4-nitrophenyl)but-3-enyl]acetamide
CID 170488748
N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide
CID 170489616
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid
CID 170483911
4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
CID 170798274
N-[4-(4-cyano-3-methylphenyl)but-3-enyl]acetamide
CID 170488699

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide?
The IUPAC name of N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide (CID 170489043) is N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide.
What is the SMILES notation for N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide?
The canonical SMILES for N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc(C(=O)NN)cc1.
What is the InChIKey of N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide?
The InChIKey is XFRJPAVPEFCPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(17)15-9-3-2-4-11-5-7-12(8-6-11)13(18)16-14/h2,4-8H,3,9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide?
N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide is sourced from PubChem (CID 170489043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).