3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide

C18H22N2O2 — CID 54795378

IUPAC3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-2-12-22-17-5-3-4-16(13-17)20-18(21)11-8-14-6-9-15(19)10-7-14/h3-7,9-10,13H,2,8,11-12,19H2,1H3,(H,20,21)
InChIKeyUUSJMPQBHCJIRZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.63
Rot. Bonds7

About 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide

3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide (PubChem CID 54795378) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
PubChem CID54795378
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-2-12-22-17-5-3-4-16(13-17)20-18(21)11-8-14-6-9-15(19)10-7-14/h3-7,9-10,13H,2,8,11-12,19H2,1H3,(H,20,21)
InChIKeyUUSJMPQBHCJIRZ-UHFFFAOYSA-N
XLogP3.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 54795379
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325
3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide
CID 55655217
2-(4-methoxyphenyl)-N-(3-propoxyphenyl)acetamide
CID 17096682
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
CID 60849225
3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
CID 115375741
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide (CID 54795378) is 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide is CCCOc1cccc(NC(=O)CCc2ccc(N)cc2)c1.
What is the InChIKey of 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide?
The InChIKey is UUSJMPQBHCJIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-12-22-17-5-3-4-16(13-17)20-18(21)11-8-14-6-9-15(19)10-7-14/h3-7,9-10,13H,2,8,11-12,19H2,1H3,(H,20,21).
What are the key properties of 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide?
3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide is sourced from PubChem (CID 54795378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).