4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide

C25H25N3O3 — CID 3372714

IUPAC4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-8-24(29)27-22-15-13-20(14-16-22)25(30)28-26-17-21-11-6-7-12-23(21)31-18-19-9-4-3-5-10-19/h3-7,9-17H,2,8,18H2,1H3,(H,27,29)(H,28,30)
InChIKeyLPOYZAIQQPKEJO-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.77
Rot. Bonds9

About 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide

4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 3372714) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID3372714
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-8-24(29)27-22-15-13-20(14-16-22)25(30)28-26-17-21-11-6-7-12-23(21)31-18-19-9-4-3-5-10-19/h3-7,9-17H,2,8,18H2,1H3,(H,27,29)(H,28,30)
InChIKeyLPOYZAIQQPKEJO-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
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-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4508943
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635
4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788777
N-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 4561777
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755
4-(2,5-dimethylpyrrol-1-yl)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3515304
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide (CID 3372714) is 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide is CCCC(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is LPOYZAIQQPKEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-8-24(29)27-22-15-13-20(14-16-22)25(30)28-26-17-21-11-6-7-12-23(21)31-18-19-9-4-3-5-10-19/h3-7,9-17H,2,8,18H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide?
4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3372714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).