4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide

C19H21N3O3 — CID 6340227

IUPAC4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide
SMILESCCC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-4-18(23)20-16-9-5-14(6-10-16)13(2)21-22-19(24)15-7-11-17(25-3)12-8-15/h5-12H,4H2,1-3H3,(H,20,23)(H,22,24)/b21-13-
InChIKeyASJYKIRSFVJRHQ-BKUYFWCQSA-N
MW339.40 g/mol
LogP3.20
Rot. Bonds6

About 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide

4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide (PubChem CID 6340227) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide
PubChem CID6340227
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide
SMILESCCC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-4-18(23)20-16-9-5-14(6-10-16)13(2)21-22-19(24)15-7-11-17(25-3)12-8-15/h5-12H,4H2,1-3H3,(H,20,23)(H,22,24)/b21-13-
InChIKeyASJYKIRSFVJRHQ-BKUYFWCQSA-N
XLogP3.20
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide (CID 6340227) is 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide is CCC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide?
The InChIKey is ASJYKIRSFVJRHQ-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-18(23)20-16-9-5-14(6-10-16)13(2)21-22-19(24)15-7-11-17(25-3)12-8-15/h5-12H,4H2,1-3H3,(H,20,23)(H,22,24)/b21-13-.
What are the key properties of 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide?
4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 6340227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).