3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide

C19H23N3O2 — CID 109024184

IUPAC3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(23)22-18-9-7-17(8-10-18)20-14-12-19(24)21-13-11-16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyCSXYFJJMCRRPEL-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.81
Rot. Bonds8

About 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide

3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide (PubChem CID 109024184) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
PubChem CID109024184
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(23)22-18-9-7-17(8-10-18)20-14-12-19(24)21-13-11-16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyCSXYFJJMCRRPEL-UHFFFAOYSA-N
XLogP2.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
CID 82224433
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide (CID 109024184) is 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide is CC(=O)Nc1ccc(NCCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide?
The InChIKey is CSXYFJJMCRRPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(23)22-18-9-7-17(8-10-18)20-14-12-19(24)21-13-11-16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide?
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 109024184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).