N-(4-acetamidophenyl)-3-(propanoylamino)benzamide

C18H19N3O3 — CID 17309669

IUPACN-(4-acetamidophenyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H19N3O3/c1-3-17(23)20-16-6-4-5-13(11-16)18(24)21-15-9-7-14(8-10-15)19-12(2)22/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyBLVUNCUXYIHAAL-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.25
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(propanoylamino)benzamide

N-(4-acetamidophenyl)-3-(propanoylamino)benzamide (PubChem CID 17309669) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(propanoylamino)benzamide
PubChem CID17309669
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(4-acetamidophenyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H19N3O3/c1-3-17(23)20-16-6-4-5-13(11-16)18(24)21-15-9-7-14(8-10-15)19-12(2)22/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyBLVUNCUXYIHAAL-UHFFFAOYSA-N
XLogP3.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)propanamide
CID 903063
N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
CID 17309567
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 6493247
3-acetamido-N-ethylbenzamide
CID 17230670
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
CID 17312368

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(propanoylamino)benzamide (CID 17309669) is N-(4-acetamidophenyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(propanoylamino)benzamide?
The InChIKey is BLVUNCUXYIHAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-17(23)20-16-6-4-5-13(11-16)18(24)21-15-9-7-14(8-10-15)19-12(2)22/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-3-(propanoylamino)benzamide?
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide has a molecular weight of 325.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 17309669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).