4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide

C18H19N3O3 — CID 910379

IUPAC4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(NC(C)=O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H19N3O3/c1-3-17(13-6-10-16(23)11-7-13)20-21-18(24)14-4-8-15(9-5-14)19-12(2)22/h4-11,23H,3H2,1-2H3,(H,19,22)(H,21,24)
InChIKeyZKSPCHHGCQYLLJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.89
Rot. Bonds5

About 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide

4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide (PubChem CID 910379) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
PubChem CID910379
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(NC(C)=O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H19N3O3/c1-3-17(13-6-10-16(23)11-7-13)20-21-18(24)14-4-8-15(9-5-14)19-12(2)22/h4-11,23H,3H2,1-2H3,(H,19,22)(H,21,24)
InChIKeyZKSPCHHGCQYLLJ-UHFFFAOYSA-N
XLogP2.89
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135560459
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135625816
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
CID 135771089

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide (CID 910379) is 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide is CCC(=NNC(=O)c1ccc(NC(C)=O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide?
The InChIKey is ZKSPCHHGCQYLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-17(13-6-10-16(23)11-7-13)20-21-18(24)14-4-8-15(9-5-14)19-12(2)22/h4-11,23H,3H2,1-2H3,(H,19,22)(H,21,24).
What are the key properties of 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide?
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide is sourced from PubChem (CID 910379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).