N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide

C25H24ClN3O3 — CID 3561944

IUPACN-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
SMILESCc1ccc(COc2ccc(C=NNC(=O)CCC(=O)Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C25H24ClN3O3/c1-18-5-7-20(8-6-18)17-32-23-11-9-19(10-12-23)16-27-29-25(31)14-13-24(30)28-22-4-2-3-21(26)15-22/h2-12,15-16H,13-14,17H2,1H3,(H,28,30)(H,29,31)
InChIKeyRMLIRVVGRMENQQ-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.10
Rot. Bonds9

About N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide

N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide (PubChem CID 3561944) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
PubChem CID3561944
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
SMILESCc1ccc(COc2ccc(C=NNC(=O)CCC(=O)Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C25H24ClN3O3/c1-18-5-7-20(8-6-18)17-32-23-11-9-19(10-12-23)16-27-29-25(31)14-13-24(30)28-22-4-2-3-21(26)15-22/h2-12,15-16H,13-14,17H2,1H3,(H,28,30)(H,29,31)
InChIKeyRMLIRVVGRMENQQ-UHFFFAOYSA-N
XLogP5.10
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.10
H-Bond Donors ≤ 52
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-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 689612
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
1-(3-chlorophenyl)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 3375542
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide
CID 126170329
2-(4-chloro-2-methylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190504
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
2-(4-chloroanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368921
N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
CID 3709189
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 75087369

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide (CID 3561944) is N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide is Cc1ccc(COc2ccc(C=NNC(=O)CCC(=O)Nc3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide?
The InChIKey is RMLIRVVGRMENQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-18-5-7-20(8-6-18)17-32-23-11-9-19(10-12-23)16-27-29-25(31)14-13-24(30)28-22-4-2-3-21(26)15-22/h2-12,15-16H,13-14,17H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide?
N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide has a molecular weight of 449.94 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide is sourced from PubChem (CID 3561944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).