4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline

C30H30N4O2 — CID 146304253

IUPAC4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
SMILESCOc1ccc(N/N=C(\C)c2ccc(-c3ccc(/C(C)=N/Nc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30N4O2/c1-21(31-33-27-13-17-29(35-3)18-14-27)23-5-9-25(10-6-23)26-11-7-24(8-12-26)22(2)32-34-28-15-19-30(36-4)20-16-28/h5-20,33-34H,1-4H3/b31-21+,32-22+
InChIKeyQHBAPAKZEAHFIT-RWRHWQIFSA-N
MW478.60 g/mol
LogP7.04
Rot. Bonds9

About 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline

4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline (PubChem CID 146304253) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
PubChem CID146304253
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
SMILESCOc1ccc(N/N=C(\C)c2ccc(-c3ccc(/C(C)=N/Nc4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H30N4O2/c1-21(31-33-27-13-17-29(35-3)18-14-27)23-5-9-25(10-6-23)26-11-7-24(8-12-26)22(2)32-34-28-15-19-30(36-4)20-16-28/h5-20,33-34H,1-4H3/b31-21+,32-22+
InChIKeyQHBAPAKZEAHFIT-RWRHWQIFSA-N
XLogP7.04
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409663
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 7950665
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N'-(4-methoxyanilino)-2-oxopropanimidamide
CID 6340122
2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6176095

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline?
The IUPAC name of 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline (CID 146304253) is 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline.
What is the SMILES notation for 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline?
The canonical SMILES for 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline is COc1ccc(N/N=C(\C)c2ccc(-c3ccc(/C(C)=N/Nc4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline?
The InChIKey is QHBAPAKZEAHFIT-RWRHWQIFSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-21(31-33-27-13-17-29(35-3)18-14-27)23-5-9-25(10-6-23)26-11-7-24(8-12-26)22(2)32-34-28-15-19-30(36-4)20-16-28/h5-20,33-34H,1-4H3/b31-21+,32-22+.
What are the key properties of 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline?
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline has a molecular weight of 478.60 g/mol, XLogP of 7.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline is sourced from PubChem (CID 146304253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).