4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide

C22H20N2O2 — CID 110509126

IUPAC4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-17-11-13-18(14-12-17)22(25)24-23-15-19-7-5-6-8-20(19)16-26-21-9-3-2-4-10-21/h2-15H,16H2,1H3,(H,24,25)/b23-15-
InChIKeyBWZMKEIZTJJKEW-HAHDFKILSA-N
MW344.41 g/mol
LogP4.34
Rot. Bonds6

About 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide

4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide (PubChem CID 110509126) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
PubChem CID110509126
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-17-11-13-18(14-12-17)22(25)24-23-15-19-7-5-6-8-20(19)16-26-21-9-3-2-4-10-21/h2-15H,16H2,1H3,(H,24,25)/b23-15-
InChIKeyBWZMKEIZTJJKEW-HAHDFKILSA-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-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110507196
N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518266
N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932964
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide
CID 110506844
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide
CID 126085873
4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110338654
2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8518215
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide (CID 110509126) is 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C\c2ccccc2COc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide?
The InChIKey is BWZMKEIZTJJKEW-HAHDFKILSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-17-11-13-18(14-12-17)22(25)24-23-15-19-7-5-6-8-20(19)16-26-21-9-3-2-4-10-21/h2-15H,16H2,1H3,(H,24,25)/b23-15-.
What are the key properties of 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide?
4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide 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 4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 110509126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).