methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate

C23H22N2O4 — CID 155167097

IUPACmethyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate
SMILESCOC(=O)c1cc(/N=C(\N)c2ccccc2OCc2ccccc2)ccc1OC
InChIInChI=1S/C23H22N2O4/c1-27-20-13-12-17(14-19(20)23(26)28-2)25-22(24)18-10-6-7-11-21(18)29-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H2,24,25)
InChIKeyBQZZKLMQIXBSCQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.10
Rot. Bonds7

About methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate

methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate (PubChem CID 155167097) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate
PubChem CID155167097
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Namemethyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate
SMILESCOC(=O)c1cc(/N=C(\N)c2ccccc2OCc2ccccc2)ccc1OC
InChIInChI=1S/C23H22N2O4/c1-27-20-13-12-17(14-19(20)23(26)28-2)25-22(24)18-10-6-7-11-21(18)29-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H2,24,25)
InChIKeyBQZZKLMQIXBSCQ-UHFFFAOYSA-N
XLogP4.10
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide
CID 155167235
N'-amino-2-phenylmethoxybenzenecarboximidamide
CID 54032335
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501104
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
methyl 5-oxaldehydoyl-2-phenylmethoxybenzoate;hydrate
CID 131711552
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
dimethyl (2R,3S)-2,3-bis(3-methoxy-4-phenylmethoxybenzoyl)butanedioate
CID 11050415
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate (CID 155167097) is methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate is COC(=O)c1cc(/N=C(\N)c2ccccc2OCc2ccccc2)ccc1OC.
What is the InChIKey of methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate?
The InChIKey is BQZZKLMQIXBSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-20-13-12-17(14-19(20)23(26)28-2)25-22(24)18-10-6-7-11-21(18)29-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H2,24,25).
What are the key properties of methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate?
methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate has a molecular weight of 390.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate is sourced from PubChem (CID 155167097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).