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

C22H21N3O2 — CID 78518160

IUPAC4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(COc2ccc(C=NNC(=O)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-16-2-4-18(5-3-16)15-27-21-12-6-17(7-13-21)14-24-25-22(26)19-8-10-20(23)11-9-19/h2-14H,15,23H2,1H3,(H,25,26)
InChIKeyPVPUGTYWULVFOI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.92
Rot. Bonds6

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

4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 78518160) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID78518160
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(COc2ccc(C=NNC(=O)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-16-2-4-18(5-3-16)15-27-21-12-6-17(7-13-21)14-24-25-22(26)19-8-10-20(23)11-9-19/h2-14H,15,23H2,1H3,(H,25,26)
InChIKeyPVPUGTYWULVFOI-UHFFFAOYSA-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

4-amino-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 7650399
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 3808987
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
[4-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6116646
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (CID 78518160) is 4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is PVPUGTYWULVFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-2-4-18(5-3-16)15-27-21-12-6-17(7-13-21)14-24-25-22(26)19-8-10-20(23)11-9-19/h2-14H,15,23H2,1H3,(H,25,26).
What are the key properties of 4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
4-amino-N-[[4-[(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 4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 78518160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).