N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide

C19H20N2O3 — CID 113095099

IUPACN-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide
SMILESCC(=O)Nc1ccc(N(C(=O)COc2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-14(22)20-15-7-9-16(10-8-15)21(17-11-12-17)19(23)13-24-18-5-3-2-4-6-18/h2-10,17H,11-13H2,1H3,(H,20,22)
InChIKeyNPWGGUWNYPGUGJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.22
Rot. Bonds6

About N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide

N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide (PubChem CID 113095099) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide
PubChem CID113095099
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide
SMILESCC(=O)Nc1ccc(N(C(=O)COc2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-14(22)20-15-7-9-16(10-8-15)21(17-11-12-17)19(23)13-24-18-5-3-2-4-6-18/h2-10,17H,11-13H2,1H3,(H,20,22)
InChIKeyNPWGGUWNYPGUGJ-UHFFFAOYSA-N
XLogP3.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide?
The IUPAC name of N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide (CID 113095099) is N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide is CC(=O)Nc1ccc(N(C(=O)COc2ccccc2)C2CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide?
The InChIKey is NPWGGUWNYPGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14(22)20-15-7-9-16(10-8-15)21(17-11-12-17)19(23)13-24-18-5-3-2-4-6-18/h2-10,17H,11-13H2,1H3,(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide?
N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide has a molecular weight of 324.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide is sourced from PubChem (CID 113095099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).