ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate

C16H22N2O4 — CID 5116737

IUPACethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate
SMILESCCOC(=O)C(C)C(C)=NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H22N2O4/c1-5-22-16(20)11(2)12(3)17-18-15(19)10-13-6-8-14(21-4)9-7-13/h6-9,11H,5,10H2,1-4H3,(H,18,19)
InChIKeyNVUHPBLWVSCVBK-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.93
Rot. Bonds7

About ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate

ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate (PubChem CID 5116737) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate
PubChem CID5116737
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate
SMILESCCOC(=O)C(C)C(C)=NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H22N2O4/c1-5-22-16(20)11(2)12(3)17-18-15(19)10-13-6-8-14(21-4)9-7-13/h6-9,11H,5,10H2,1-4H3,(H,18,19)
InChIKeyNVUHPBLWVSCVBK-UHFFFAOYSA-N
XLogP1.93
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.93
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

ethyl (2S,3E)-2-methyl-3-[(2-phenylacetyl)hydrazinylidene]butanoate
CID 40557193
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate
CID 6124106
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate?
The IUPAC name of ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate (CID 5116737) is ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate.
What is the SMILES notation for ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate?
The canonical SMILES for ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate is CCOC(=O)C(C)C(C)=NNC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate?
The InChIKey is NVUHPBLWVSCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-22-16(20)11(2)12(3)17-18-15(19)10-13-6-8-14(21-4)9-7-13/h6-9,11H,5,10H2,1-4H3,(H,18,19).
What are the key properties of ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate?
ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate has a molecular weight of 306.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate is sourced from PubChem (CID 5116737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).