N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide

C25H25N3O3 — CID 3289635

IUPACN-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-19-11-13-22(14-12-19)27-24(29)15-16-25(30)28-26-17-21-9-5-6-10-23(21)31-18-20-7-3-2-4-8-20/h2-14,17H,15-16,18H2,1H3,(H,27,29)(H,28,30)
InChIKeyLUBFAJMCCPFUEU-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.44
Rot. Bonds9

About N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide

N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide (PubChem CID 3289635) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
PubChem CID3289635
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-19-11-13-22(14-12-19)27-24(29)15-16-25(30)28-26-17-21-9-5-6-10-23(21)31-18-20-7-3-2-4-8-20/h2-14,17H,15-16,18H2,1H3,(H,27,29)(H,28,30)
InChIKeyLUBFAJMCCPFUEU-UHFFFAOYSA-N
XLogP4.44
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.44
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-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393
N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3297104
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3372714
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 4561777
N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4508943
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789
N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 4542662
N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5125642
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
CID 3543860

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide (CID 3289635) is N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide is Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide?
The InChIKey is LUBFAJMCCPFUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-19-11-13-22(14-12-19)27-24(29)15-16-25(30)28-26-17-21-9-5-6-10-23(21)31-18-20-7-3-2-4-8-20/h2-14,17H,15-16,18H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide?
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide has a molecular weight of 415.49 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3289635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).