N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide

C21H18N2O3 — CID 166606581

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N2O3/c1-25-18-11-7-16(8-12-18)15-22-23-21(24)17-9-13-20(14-10-17)26-19-5-3-2-4-6-19/h2-15H,1H3,(H,23,24)/b22-15+
InChIKeyDILCBALQBZUMFJ-PXLXIMEGSA-N
MW346.39 g/mol
LogP4.25
Rot. Bonds6

About N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide (PubChem CID 166606581) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
PubChem CID166606581
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N2O3/c1-25-18-11-7-16(8-12-18)15-22-23-21(24)17-9-13-20(14-10-17)26-19-5-3-2-4-6-19/h2-15H,1H3,(H,23,24)/b22-15+
InChIKeyDILCBALQBZUMFJ-PXLXIMEGSA-N
XLogP4.25
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50855117
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide (CID 166606581) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide is COc1ccc(/C=N/NC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide?
The InChIKey is DILCBALQBZUMFJ-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-25-18-11-7-16(8-12-18)15-22-23-21(24)17-9-13-20(14-10-17)26-19-5-3-2-4-6-19/h2-15H,1H3,(H,23,24)/b22-15+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide has a molecular weight of 346.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide is sourced from PubChem (CID 166606581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).