3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide

C15H24N2O2 — CID 82950103

IUPAC3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide
SMILESCCCOCCCNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-2-10-19-11-4-9-17-15(18)8-7-13-5-3-6-14(16)12-13/h3,5-6,12H,2,4,7-11,16H2,1H3,(H,17,18)
InChIKeyZVGLJGVOFMDFMS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.13
Rot. Bonds9

About 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide

3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide (PubChem CID 82950103) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide
PubChem CID82950103
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide
SMILESCCCOCCCNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-2-10-19-11-4-9-17-15(18)8-7-13-5-3-6-14(16)12-13/h3,5-6,12H,2,4,7-11,16H2,1H3,(H,17,18)
InChIKeyZVGLJGVOFMDFMS-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 115341362
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide
CID 127122247
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006137
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
3-(3-aminophenyl)-N-(2-methylsulfinylethyl)propanamide
CID 113479619
3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide
CID 43546334
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
3-(3-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341572
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide (CID 82950103) is 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide is CCCOCCCNC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide?
The InChIKey is ZVGLJGVOFMDFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-10-19-11-4-9-17-15(18)8-7-13-5-3-6-14(16)12-13/h3,5-6,12H,2,4,7-11,16H2,1H3,(H,17,18).
What are the key properties of 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide?
3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide is sourced from PubChem (CID 82950103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).