4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide

C22H21N3O2 — CID 1039675

IUPAC4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-25(19-6-4-3-5-7-19)20-12-8-17(9-13-20)16-23-24-22(26)18-10-14-21(27-2)15-11-18/h3-16H,1-2H3,(H,24,26)
InChIKeyHRJMFWCHEIGXHZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.23
Rot. Bonds6

About 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide

4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide (PubChem CID 1039675) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
PubChem CID1039675
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-25(19-6-4-3-5-7-19)20-12-8-17(9-13-20)16-23-24-22(26)18-10-14-21(27-2)15-11-18/h3-16H,1-2H3,(H,24,26)
InChIKeyHRJMFWCHEIGXHZ-UHFFFAOYSA-N
XLogP4.23
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.23
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

4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[[4-(N-methylanilino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5149584
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 6307220
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide (CID 1039675) is 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide is COc1ccc(C(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide?
The InChIKey is HRJMFWCHEIGXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-25(19-6-4-3-5-7-19)20-12-8-17(9-13-20)16-23-24-22(26)18-10-14-21(27-2)15-11-18/h3-16H,1-2H3,(H,24,26).
What are the key properties of 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide?
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide has a molecular weight of 359.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 1039675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).