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

C22H20N2O2 — CID 4932926

IUPACN-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-17-7-9-18(10-8-17)15-23-24-22(25)20-11-13-21(14-12-20)26-16-19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,24,25)
InChIKeyBAQSRJONJXVTAO-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.34
Rot. Bonds6

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

N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide (PubChem CID 4932926) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
PubChem CID4932926
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-17-7-9-18(10-8-17)15-23-24-22(25)20-11-13-21(14-12-20)26-16-19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,24,25)
InChIKeyBAQSRJONJXVTAO-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
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
4-amino-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 7650399
4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 78518160
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide (CID 4932926) is N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide is Cc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is BAQSRJONJXVTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-17-7-9-18(10-8-17)15-23-24-22(25)20-11-13-21(14-12-20)26-16-19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,24,25).
What are the key properties of N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
N-[(4-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-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4932926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).