2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

C22H21N3O2 — CID 21370999

IUPAC2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(COc2cccc(/C=N/NC(=O)c3ccccc3N)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-16-9-11-17(12-10-16)15-27-19-6-4-5-18(13-19)14-24-25-22(26)20-7-2-3-8-21(20)23/h2-14H,15,23H2,1H3,(H,25,26)/b24-14+
InChIKeyKZFGRWLRJBRGLQ-ZVHZXABRSA-N
MW359.43 g/mol
LogP3.92
Rot. Bonds6

About 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 21370999) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID21370999
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(COc2cccc(/C=N/NC(=O)c3ccccc3N)c2)cc1
InChIInChI=1S/C22H21N3O2/c1-16-9-11-17(12-10-16)15-27-19-6-4-5-18(13-19)14-24-25-22(26)20-7-2-3-8-21(20)23/h2-14H,15,23H2,1H3,(H,25,26)/b24-14+
InChIKeyKZFGRWLRJBRGLQ-ZVHZXABRSA-N
XLogP3.92
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370994
3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17126659
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 900233
2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 110337163
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
CID 6046862
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
methyl 4-[[3-[[(2-methoxy-4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5144507
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126375359
N-(2,6-dimethylphenyl)-N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5082451

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (CID 21370999) is 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccccc3N)c2)cc1.
What is the InChIKey of 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is KZFGRWLRJBRGLQ-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-9-11-17(12-10-16)15-27-19-6-4-5-18(13-19)14-24-25-22(26)20-7-2-3-8-21(20)23/h2-14H,15,23H2,1H3,(H,25,26)/b24-14+.
What are the key properties of 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 21370999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).