ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate

C16H20N2O6 — CID 91602933

IUPACethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NN=C(C(=O)OCC)c1ccccc1OC
InChIInChI=1S/C16H20N2O6/c1-4-23-14(20)10-13(19)17-18-15(16(21)24-5-2)11-8-6-7-9-12(11)22-3/h6-9H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyOMZDSZXALBFULY-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.03
Rot. Bonds8

About ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate

ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate (PubChem CID 91602933) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate
PubChem CID91602933
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Nameethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NN=C(C(=O)OCC)c1ccccc1OC
InChIInChI=1S/C16H20N2O6/c1-4-23-14(20)10-13(19)17-18-15(16(21)24-5-2)11-8-6-7-9-12(11)22-3/h6-9H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyOMZDSZXALBFULY-UHFFFAOYSA-N
XLogP1.03
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

ethyl 3-[(2E)-2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate
CID 87585582
ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate
CID 15075008
ethyl 2,3-dimethoxy-3-(2-methoxyphenyl)prop-2-enoate
CID 142698387
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
ethyl 3-oxo-3-(2,3,4-trimethoxyphenyl)propanoate
CID 21243225
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566
2-methoxybenzohydrazide
CID 24051
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
N-(4-amino-2,5-diethoxyphenyl)-2-methoxybenzamide
CID 23464291

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate?
The IUPAC name of ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate (CID 91602933) is ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate is CCOC(=O)CC(=O)NN=C(C(=O)OCC)c1ccccc1OC.
What is the InChIKey of ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate?
The InChIKey is OMZDSZXALBFULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-4-23-14(20)10-13(19)17-18-15(16(21)24-5-2)11-8-6-7-9-12(11)22-3/h6-9H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate?
ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate has a molecular weight of 336.34 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethylidene]hydrazinyl]-3-oxopropanoate is sourced from PubChem (CID 91602933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).