N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride

C13H20ClN3O3 — CID 119319260

IUPACN-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1cccc(OCCNC(=O)CCN)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-10(17)16-11-3-2-4-12(9-11)19-8-7-15-13(18)5-6-14;/h2-4,9H,5-8,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyXTJKOSJJLZEPGT-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.91
Rot. Bonds7

About N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride

N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride (PubChem CID 119319260) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
PubChem CID119319260
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC NameN-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1cccc(OCCNC(=O)CCN)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-10(17)16-11-3-2-4-12(9-11)19-8-7-15-13(18)5-6-14;/h2-4,9H,5-8,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyXTJKOSJJLZEPGT-UHFFFAOYSA-N
XLogP0.91
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride 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

N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide
CID 119776248
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
2-amino-N-[3-(2-fluoroethoxy)phenyl]acetamide;hydrochloride
CID 119337987
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631171
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
N-[3-[2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]ethoxy]phenyl]acetamide
CID 110966880
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride?
The IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride (CID 119319260) is N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride.
What is the SMILES notation for N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride?
The canonical SMILES for N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride is CC(=O)Nc1cccc(OCCNC(=O)CCN)c1.Cl.
What is the InChIKey of N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride?
The InChIKey is XTJKOSJJLZEPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-10(17)16-11-3-2-4-12(9-11)19-8-7-15-13(18)5-6-14;/h2-4,9H,5-8,14H2,1H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride?
N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride is sourced from PubChem (CID 119319260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).