3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide

C19H22N2O3 — CID 4878878

IUPAC3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-13-9-10-18(24-3)17(11-13)21-19(23)12-16(20-14(2)22)15-7-5-4-6-8-15/h4-11,16H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUNGLTYPBRQTUIZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.21
Rot. Bonds6

About 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide

3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide (PubChem CID 4878878) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
PubChem CID4878878
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-13-9-10-18(24-3)17(11-13)21-19(23)12-16(20-14(2)22)15-7-5-4-6-8-15/h4-11,16H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUNGLTYPBRQTUIZ-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide (CID 4878878) is 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide is COc1ccc(C)cc1NC(=O)CC(NC(C)=O)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide?
The InChIKey is UNGLTYPBRQTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-9-10-18(24-3)17(11-13)21-19(23)12-16(20-14(2)22)15-7-5-4-6-8-15/h4-11,16H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide?
3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide has a molecular weight of 326.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 4878878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).