ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate

C15H19N5O3 — CID 134915436

IUPACethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate
SMILESCCOC(=O)C(=N\N=C(/C)c1ccccc1)/C(C)=N/NC(N)=O
InChIInChI=1S/C15H19N5O3/c1-4-23-14(21)13(11(3)18-20-15(16)22)19-17-10(2)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H3,16,20,22)/b17-10+,18-11+,19-13-
InChIKeyBQAHOEBGKQGCIN-BSEAXULCSA-N
MW317.35 g/mol
LogP1.46
Rot. Bonds6

About ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate

ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate (PubChem CID 134915436) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate
PubChem CID134915436
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Nameethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate
SMILESCCOC(=O)C(=N\N=C(/C)c1ccccc1)/C(C)=N/NC(N)=O
InChIInChI=1S/C15H19N5O3/c1-4-23-14(21)13(11(3)18-20-15(16)22)19-17-10(2)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H3,16,20,22)/b17-10+,18-11+,19-13-
InChIKeyBQAHOEBGKQGCIN-BSEAXULCSA-N
XLogP1.46
TPSA118.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z,3E)-3-(phenylcarbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate
CID 134915238
ethyl (2Z,3E)-3-(carbamothioylhydrazinylidene)-2-(phenylhydrazinylidene)butanoate
CID 98518108
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
ethyl N-[(1-oxo-1-phenylpropan-2-ylidene)amino]carbamate
CID 5085967
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
ethyl (E)-2-fluoro-3-phenylbut-2-enoate
CID 12705934
ethyl (3E)-2-[3-aminopropyl(diphenyl)-λ5-phosphanylidene]-3-(carbamoylhydrazinylidene)butanoate
CID 56600246
[(1-ethoxy-1-oxopropan-2-ylidene)amino] benzoate
CID 131876396
ethyl (2E)-2-[(1-phenacylpyridin-1-ium-4-carbonyl)hydrazinylidene]propanoate bromide
CID 21176974
ethyl (2E,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2-methoxyphenyl)hydrazinylidene]butanoate
CID 98518100
ethyl (2Z,3Z)-2-hydroxyimino-3-(pyridine-4-carbonylhydrazinylidene)butanoate
CID 135580762
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate?
The IUPAC name of ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate (CID 134915436) is ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate.
What is the SMILES notation for ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate?
The canonical SMILES for ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate is CCOC(=O)C(=N\N=C(/C)c1ccccc1)/C(C)=N/NC(N)=O.
What is the InChIKey of ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate?
The InChIKey is BQAHOEBGKQGCIN-BSEAXULCSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-4-23-14(21)13(11(3)18-20-15(16)22)19-17-10(2)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H3,16,20,22)/b17-10+,18-11+,19-13-.
What are the key properties of ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate?
ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate has a molecular weight of 317.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate is sourced from PubChem (CID 134915436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).