methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate

C12H16N2O3 — CID 174940929

IUPACmethyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate
SMILESCCN(/N=C\C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C12H16N2O3/c1-4-14(13-9-12(15)17-3)10-5-7-11(16-2)8-6-10/h5-9H,4H2,1-3H3/b13-9-
InChIKeyHQFXOZJKPKBFES-LCYFTJDESA-N
MW236.27 g/mol
LogP1.68
Rot. Bonds5

About methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate

methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate (PubChem CID 174940929) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate
PubChem CID174940929
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate
SMILESCCN(/N=C\C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C12H16N2O3/c1-4-14(13-9-12(15)17-3)10-5-7-11(16-2)8-6-10/h5-9H,4H2,1-3H3/b13-9-
InChIKeyHQFXOZJKPKBFES-LCYFTJDESA-N
XLogP1.68
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
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

1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate
CID 82543564
methyl (Z)-4-bromo-3-(4-methoxyphenyl)but-2-enoate
CID 131873738
2-chloro-N-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 5428293

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate?
The IUPAC name of methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate (CID 174940929) is methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate is CCN(/N=C\C(=O)OC)c1ccc(OC)cc1.
What is the InChIKey of methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate?
The InChIKey is HQFXOZJKPKBFES-LCYFTJDESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-14(13-9-12(15)17-3)10-5-7-11(16-2)8-6-10/h5-9H,4H2,1-3H3/b13-9-.
What are the key properties of methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate?
methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate has a molecular weight of 236.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[ethyl-(4-methoxyphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 174940929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).