2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide

C19H24N2O3 — CID 51242376

IUPAC2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(C)C(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C19H24N2O3/c1-4-23-16-12-10-15(11-13-16)20-14(3)19(22)21-17-8-6-7-9-18(17)24-5-2/h6-14,20H,4-5H2,1-3H3,(H,21,22)
InChIKeyOBZWBWYSSIPKMJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.92
Rot. Bonds8

About 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide

2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 51242376) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID51242376
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(C)C(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C19H24N2O3/c1-4-23-16-12-10-15(11-13-16)20-14(3)19(22)21-17-8-6-7-9-18(17)24-5-2/h6-14,20H,4-5H2,1-3H3,(H,21,22)
InChIKeyOBZWBWYSSIPKMJ-UHFFFAOYSA-N
XLogP3.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide (CID 51242376) is 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccc(NC(C)C(=O)Nc2ccccc2OCC)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is OBZWBWYSSIPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-23-16-12-10-15(11-13-16)20-14(3)19(22)21-17-8-6-7-9-18(17)24-5-2/h6-14,20H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 51242376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).