N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide

C22H20N2O2 — CID 4932966

IUPACN-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCc1cccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O2/c1-17-6-5-9-19(14-17)15-23-24-22(25)20-10-12-21(13-11-20)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,24,25)
InChIKeyNIOHEGYVPDRJIV-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.34
Rot. Bonds6

About N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide

N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide (PubChem CID 4932966) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
PubChem CID4932966
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCc1cccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O2/c1-17-6-5-9-19(14-17)15-23-24-22(25)20-10-12-21(13-11-20)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,24,25)
InChIKeyNIOHEGYVPDRJIV-UHFFFAOYSA-N
XLogP4.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 28922629
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6260250
N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932964

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide (CID 4932966) is N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide is Cc1cccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is NIOHEGYVPDRJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-17-6-5-9-19(14-17)15-23-24-22(25)20-10-12-21(13-11-20)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,24,25).
What are the key properties of N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 344.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4932966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).