methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate

C18H19N3O3 — CID 825894

IUPACmethyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)CNc2cccc(C)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-4-3-5-16(10-13)19-12-17(22)21-20-11-14-6-8-15(9-7-14)18(23)24-2/h3-11,19H,12H2,1-2H3,(H,21,22)
InChIKeyRAJKIANAHBUIFA-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.34
Rot. Bonds6

About methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate

methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 825894) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID825894
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namemethyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)CNc2cccc(C)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-4-3-5-16(10-13)19-12-17(22)21-20-11-14-6-8-15(9-7-14)18(23)24-2/h3-11,19H,12H2,1-2H3,(H,21,22)
InChIKeyRAJKIANAHBUIFA-UHFFFAOYSA-N
XLogP2.34
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
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

methyl 4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 5401590
N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3765946
N-[(E)-(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 25251521
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 758746
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4991681
[2-methoxy-4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 3649631
[3-[(E)-[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 46502590
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135752411
[4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5334777
[4-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 1202103

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate (CID 825894) is methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNC(=O)CNc2cccc(C)c2)cc1.
What is the InChIKey of methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is RAJKIANAHBUIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-4-3-5-16(10-13)19-12-17(22)21-20-11-14-6-8-15(9-7-14)18(23)24-2/h3-11,19H,12H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate?
methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 325.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 825894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).