4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide

C22H25N3O3 — CID 54788777

IUPAC4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)CCCC)cc1
InChIInChI=1S/C22H25N3O3/c1-3-5-10-21(26)24-19-13-11-17(12-14-19)22(27)25-23-16-18-8-6-7-9-20(18)28-15-4-2/h4,6-9,11-14,16H,2-3,5,10,15H2,1H3,(H,24,26)(H,25,27)/b23-16+
InChIKeyOFNBGXOKPJQMTJ-XQNSMLJCSA-N
MW379.46 g/mol
LogP4.14
Rot. Bonds10

About 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide

4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 54788777) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID54788777
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)CCCC)cc1
InChIInChI=1S/C22H25N3O3/c1-3-5-10-21(26)24-19-13-11-17(12-14-19)22(27)25-23-16-18-8-6-7-9-20(18)28-15-4-2/h4,6-9,11-14,16H,2-3,5,10,15H2,1H3,(H,24,26)(H,25,27)/b23-16+
InChIKeyOFNBGXOKPJQMTJ-XQNSMLJCSA-N
XLogP4.14
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
CID 45054649
4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3372714
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393
N-[(E)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126329120
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4926033
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774

Frequently Asked Questions

What is the IUPAC name of 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 54788777) is 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)CCCC)cc1.
What is the InChIKey of 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is OFNBGXOKPJQMTJ-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-5-10-21(26)24-19-13-11-17(12-14-19)22(27)25-23-16-18-8-6-7-9-20(18)28-15-4-2/h4,6-9,11-14,16H,2-3,5,10,15H2,1H3,(H,24,26)(H,25,27)/b23-16+.
What are the key properties of 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 54788777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).