[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate

C18H18N2O4 — CID 108927681

IUPAC[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C18H18N2O4/c1-3-17(22)19-14-7-9-15(10-8-14)20-18(23)13-5-4-6-16(11-13)24-12(2)21/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyZTJYIZBNGDHENA-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.21
Rot. Bonds5

About [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate

[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927681) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
PubChem CID108927681
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccc(OC(C)=O)c2)cc1
InChIInChI=1S/C18H18N2O4/c1-3-17(22)19-14-7-9-15(10-8-14)20-18(23)13-5-4-6-16(11-13)24-12(2)21/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyZTJYIZBNGDHENA-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927655
[3-[[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927723
[3-[[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927597
[3-[[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927714
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927767
[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927732
methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
[3-[[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928447
[3-[[4-(pyridine-2-carbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927700

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate (CID 108927681) is [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate is CCC(=O)Nc1ccc(NC(=O)c2cccc(OC(C)=O)c2)cc1.
What is the InChIKey of [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is ZTJYIZBNGDHENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-17(22)19-14-7-9-15(10-8-14)20-18(23)13-5-4-6-16(11-13)24-12(2)21/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate?
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 326.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).