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

C24H23N3O3 — CID 4508943

IUPACN-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-2-23(28)26-21-14-12-19(13-15-21)24(29)27-25-16-20-10-6-7-11-22(20)30-17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyGNRVBBIKWNLXOC-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.38
Rot. Bonds8

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

N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide (PubChem CID 4508943) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
PubChem CID4508943
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-2-23(28)26-21-14-12-19(13-15-21)24(29)27-25-16-20-10-6-7-11-22(20)30-17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyGNRVBBIKWNLXOC-UHFFFAOYSA-N
XLogP4.38
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.38
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

4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3372714
N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 4561777
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 136817906
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
4-(2,5-dimethylpyrrol-1-yl)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3515304
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
N-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 51061317
4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 6875276

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide (CID 4508943) is N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
The InChIKey is GNRVBBIKWNLXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-23(28)26-21-14-12-19(13-15-21)24(29)27-25-16-20-10-6-7-11-22(20)30-17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide?
N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 4508943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).