methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate

C16H15NO3 — CID 86718149

IUPACmethyl 3-[(4-methoxyphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1cccc(/N=C/c2ccc(OC)cc2)c1
InChIInChI=1S/C16H15NO3/c1-19-15-8-6-12(7-9-15)11-17-14-5-3-4-13(10-14)16(18)20-2/h3-11H,1-2H3/b17-11+
InChIKeyXTKIFYVBJRRPAP-GZTJUZNOSA-N
MW269.30 g/mol
LogP3.23
Rot. Bonds4

About methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate

methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate (PubChem CID 86718149) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxyphenyl)methylideneamino]benzoate
PubChem CID86718149
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 3-[(4-methoxyphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1cccc(/N=C/c2ccc(OC)cc2)c1
InChIInChI=1S/C16H15NO3/c1-19-15-8-6-12(7-9-15)11-17-14-5-3-4-13(10-14)16(18)20-2/h3-11H,1-2H3/b17-11+
InChIKeyXTKIFYVBJRRPAP-GZTJUZNOSA-N
XLogP3.23
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(((4-Methoxyphenyl)methylene)amino)phenyl acetate
CID 97495
2-(4-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 708717
Ethyl 4-(4-hydroxybenzylideneamino)benzoate
CID 36105
Methyl 4-(4-hydroxybenzylideneamino)benzoate
CID 969280
Methyl benzo[b][1,4]benzoxazepine-1-carboxylate
CID 42635523
2-(4-ethoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 714792
p-Methoxybenzylideneanthranilic acid
CID 101290
1-(4-(((4-Butoxyphenyl)methylene)amino)phenyl)ethanone
CID 533688
Benzoic acid, 2-((3-(4-methoxyphenyl)-2-methylpropylidene)amino)-, methyl ester
CID 3034267
6-(methoxycarbonyl)-2-(4-methoxyphenyl)-3-oxo-3H-indole 1-oxide
CID 25230461
(S)-(+)-2-Methylbutyl P-[(P-methoxybenzylidene)amino]cinnamate
CID 5702746
4-(Veratrylideneamino)benzoic acid
CID 202726

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate?
The IUPAC name of methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate (CID 86718149) is methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate.
What is the SMILES notation for methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate?
The canonical SMILES for methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate is COC(=O)c1cccc(/N=C/c2ccc(OC)cc2)c1.
What is the InChIKey of methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate?
The InChIKey is XTKIFYVBJRRPAP-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-15-8-6-12(7-9-15)11-17-14-5-3-4-13(10-14)16(18)20-2/h3-11H,1-2H3/b17-11+.
What are the key properties of methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate?
methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate has a molecular weight of 269.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxyphenyl)methylideneamino]benzoate is sourced from PubChem (CID 86718149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).