N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide

C22H20N2O2 — CID 4932964

IUPACN-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCc1ccccc1C=NNC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-17-7-5-6-10-20(17)15-23-24-22(25)19-11-13-21(14-12-19)26-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,24,25)
InChIKeyBWOZUEWWSXORPD-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.34
Rot. Bonds6

About N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide

N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide (PubChem CID 4932964) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
PubChem CID4932964
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCc1ccccc1C=NNC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-17-7-5-6-10-20(17)15-23-24-22(25)19-11-13-21(14-12-19)26-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,24,25)
InChIKeyBWOZUEWWSXORPD-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)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518266
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932924
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 54784589
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
[4-bromo-2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6270059
3-bromo-4-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5196695
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide (CID 4932964) is N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide is Cc1ccccc1C=NNC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is BWOZUEWWSXORPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-17-7-5-6-10-20(17)15-23-24-22(25)19-11-13-21(14-12-19)26-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,24,25).
What are the key properties of N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide?
N-[(2-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-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4932964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).