N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide

C17H18N2O3 — CID 9412035

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-15-9-7-14(8-10-15)19-17(21)12-18-16(20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyTUFLBHKTQODMOC-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.99
Rot. Bonds6

About N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 9412035) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
PubChem CID9412035
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-15-9-7-14(8-10-15)19-17(21)12-18-16(20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyTUFLBHKTQODMOC-UHFFFAOYSA-N
XLogP1.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide (CID 9412035) is N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide is COc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is TUFLBHKTQODMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-15-9-7-14(8-10-15)19-17(21)12-18-16(20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 298.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 9412035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).