methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate

C13H16N2O4 — CID 23268418

IUPACmethyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
SMILESCOC(=O)C/C(C)=N\NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O4/c1-9(8-12(16)19-3)14-15-13(17)10-4-6-11(18-2)7-5-10/h4-7H,8H2,1-3H3,(H,15,17)/b14-9-
InChIKeyVUYFBLZRBUNRMC-ZROIWOOFSA-N
MW264.28 g/mol
LogP1.36
Rot. Bonds5

About methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate

methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate (PubChem CID 23268418) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate.

Molecular Properties

Compound Namemethyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
PubChem CID23268418
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
SMILESCOC(=O)C/C(C)=N\NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O4/c1-9(8-12(16)19-3)14-15-13(17)10-4-6-11(18-2)7-5-10/h4-7H,8H2,1-3H3,(H,15,17)/b14-9-
InChIKeyVUYFBLZRBUNRMC-ZROIWOOFSA-N
XLogP1.36
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
CID 6382258
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
CID 585009
4-methoxy-N-[(Z)-[4-oxo-4-[[(1S)-1-phenylethyl]amino]butan-2-ylidene]amino]benzamide
CID 7269523
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
3,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6035808
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide
CID 10823456
N-[[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 4585260
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653

Frequently Asked Questions

What is the IUPAC name of methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate?
The IUPAC name of methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate (CID 23268418) is methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate.
What is the SMILES notation for methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate?
The canonical SMILES for methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate is COC(=O)C/C(C)=N\NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate?
The InChIKey is VUYFBLZRBUNRMC-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(8-12(16)19-3)14-15-13(17)10-4-6-11(18-2)7-5-10/h4-7H,8H2,1-3H3,(H,15,17)/b14-9-.
What are the key properties of methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate?
methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate has a molecular weight of 264.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate is sourced from PubChem (CID 23268418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).