[[amino(phenyl)methylidene]amino] 4-methoxybenzoate

C15H14N2O3 — CID 2841874

IUPAC[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)ON=C(N)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c1-19-13-9-7-12(8-10-13)15(18)20-17-14(16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17)
InChIKeyBVOZEUPHOVPVDL-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.17
Rot. Bonds4

About [[amino(phenyl)methylidene]amino] 4-methoxybenzoate

[[amino(phenyl)methylidene]amino] 4-methoxybenzoate (PubChem CID 2841874) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [[amino(phenyl)methylidene]amino] 4-methoxybenzoate.

Molecular Properties

Compound Name[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
PubChem CID2841874
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)ON=C(N)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c1-19-13-9-7-12(8-10-13)15(18)20-17-14(16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17)
InChIKeyBVOZEUPHOVPVDL-UHFFFAOYSA-N
XLogP2.17
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
[(E)-[amino(phenyl)methylidene]amino] 3,5-dimethoxybenzoate
CID 40528949
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 4-iodobenzoate
CID 5349115
[[amino(pyridin-1-ium-4-yl)methylidene]amino] 4-methoxybenzoate
CID 135432059
[[amino-(4-methoxyphenyl)methylidene]amino] 3-fluorobenzoate
CID 2876742
[[amino(phenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 2213299
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
CID 10353566
[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19289952
[[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 3296382
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate
CID 46500526
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857

Frequently Asked Questions

What is the IUPAC name of [[amino(phenyl)methylidene]amino] 4-methoxybenzoate?
The IUPAC name of [[amino(phenyl)methylidene]amino] 4-methoxybenzoate (CID 2841874) is [[amino(phenyl)methylidene]amino] 4-methoxybenzoate.
What is the SMILES notation for [[amino(phenyl)methylidene]amino] 4-methoxybenzoate?
The canonical SMILES for [[amino(phenyl)methylidene]amino] 4-methoxybenzoate is COc1ccc(C(=O)ON=C(N)c2ccccc2)cc1.
What is the InChIKey of [[amino(phenyl)methylidene]amino] 4-methoxybenzoate?
The InChIKey is BVOZEUPHOVPVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-13-9-7-12(8-10-13)15(18)20-17-14(16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17).
What are the key properties of [[amino(phenyl)methylidene]amino] 4-methoxybenzoate?
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate has a molecular weight of 270.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(phenyl)methylidene]amino] 4-methoxybenzoate is sourced from PubChem (CID 2841874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).