N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide

C27H24N2O2 — CID 7928974

IUPACN-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)c(C)c1
InChIInChI=1S/C27H24N2O2/c1-19-7-10-25(20(2)15-19)17-28-29-27(30)23-11-8-21(9-12-23)18-31-26-14-13-22-5-3-4-6-24(22)16-26/h3-17H,18H2,1-2H3,(H,29,30)/b28-17-
InChIKeyUJTKENCUAMEWHN-QRQIAZFYSA-N
MW408.50 g/mol
LogP5.80
Rot. Bonds6

About N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide

N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide (PubChem CID 7928974) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
PubChem CID7928974
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)c(C)c1
InChIInChI=1S/C27H24N2O2/c1-19-7-10-25(20(2)15-19)17-28-29-27(30)23-11-8-21(9-12-23)18-31-26-14-13-22-5-3-4-6-24(22)16-26/h3-17H,18H2,1-2H3,(H,29,30)/b28-17-
InChIKeyUJTKENCUAMEWHN-QRQIAZFYSA-N
XLogP5.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.80
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'}

Analyze N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518266
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 917804
N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932964
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
CID 16553490
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
[1-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 6034998
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 136766907
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17126659
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 42991420

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide?
The IUPAC name of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide (CID 7928974) is N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide.
What is the SMILES notation for N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide?
The canonical SMILES for N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide is Cc1ccc(/C=N\NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)c(C)c1.
What is the InChIKey of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide?
The InChIKey is UJTKENCUAMEWHN-QRQIAZFYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-19-7-10-25(20(2)15-19)17-28-29-27(30)23-11-8-21(9-12-23)18-31-26-14-13-22-5-3-4-6-24(22)16-26/h3-17H,18H2,1-2H3,(H,29,30)/b28-17-.
What are the key properties of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide?
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide has a molecular weight of 408.50 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide is sourced from PubChem (CID 7928974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).