ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate

C13H17N3O3 — CID 5385529

IUPACethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate
SMILESCCOC(=O)CC/C(=N/NC(N)=O)c1ccccc1
InChIInChI=1S/C13H17N3O3/c1-2-19-12(17)9-8-11(15-16-13(14)18)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,14,16,18)/b15-11-
InChIKeyIVEPTQXZYBJWCG-PTNGSMBKSA-N
MW263.30 g/mol
LogP1.40
Rot. Bonds6

About ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate

ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate (PubChem CID 5385529) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate
PubChem CID5385529
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nameethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate
SMILESCCOC(=O)CC/C(=N/NC(N)=O)c1ccccc1
InChIInChI=1S/C13H17N3O3/c1-2-19-12(17)9-8-11(15-16-13(14)18)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,14,16,18)/b15-11-
InChIKeyIVEPTQXZYBJWCG-PTNGSMBKSA-N
XLogP1.40
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate?
The IUPAC name of ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate (CID 5385529) is ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate.
What is the SMILES notation for ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate?
The canonical SMILES for ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate is CCOC(=O)CC/C(=N/NC(N)=O)c1ccccc1.
What is the InChIKey of ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate?
The InChIKey is IVEPTQXZYBJWCG-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-19-12(17)9-8-11(15-16-13(14)18)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,14,16,18)/b15-11-.
What are the key properties of ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate?
ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate has a molecular weight of 263.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4Z)-4-(carbamoylhydrazinylidene)-4-phenylbutanoate is sourced from PubChem (CID 5385529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).