N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide

C28H26N2O3 — CID 110524805

IUPACN-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2c(C)ccc3ccccc23)cc1OCc1ccc(C)cc1
InChIInChI=1S/C28H26N2O3/c1-19-8-11-21(12-9-19)18-33-26-16-22(13-15-25(26)32-3)17-29-30-28(31)27-20(2)10-14-23-6-4-5-7-24(23)27/h4-17H,18H2,1-3H3,(H,30,31)/b29-17-
InChIKeyUBCGNILCXJFRFH-RHANQZHGSA-N
MW438.53 g/mol
LogP5.81
Rot. Bonds7

About N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide

N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide (PubChem CID 110524805) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide
PubChem CID110524805
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC NameN-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2c(C)ccc3ccccc23)cc1OCc1ccc(C)cc1
InChIInChI=1S/C28H26N2O3/c1-19-8-11-21(12-9-19)18-33-26-16-22(13-15-25(26)32-3)17-29-30-28(31)27-20(2)10-14-23-6-4-5-7-24(23)27/h4-17H,18H2,1-3H3,(H,30,31)/b29-17-
InChIKeyUBCGNILCXJFRFH-RHANQZHGSA-N
XLogP5.81
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524819
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4320049
N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6068388
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126308611
3-amino-N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110512172
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524945
3-hydroxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911475
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96885314
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide (CID 110524805) is N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide is COc1ccc(/C=N\NC(=O)c2c(C)ccc3ccccc23)cc1OCc1ccc(C)cc1.
What is the InChIKey of N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide?
The InChIKey is UBCGNILCXJFRFH-RHANQZHGSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-19-8-11-21(12-9-19)18-33-26-16-22(13-15-25(26)32-3)17-29-30-28(31)27-20(2)10-14-23-6-4-5-7-24(23)27/h4-17H,18H2,1-3H3,(H,30,31)/b29-17-.
What are the key properties of N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide?
N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 110524805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).