N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide

C13H19ClN2O3 — CID 54936288

IUPACN-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide
SMILESCOCCCOC(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O3/c1-9(19-7-3-6-18-2)13(17)16-12-5-4-10(14)8-11(12)15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeyGVTVYFSEDHKGJA-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.30
Rot. Bonds7

About N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide

N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide (PubChem CID 54936288) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide
PubChem CID54936288
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide
SMILESCOCCCOC(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O3/c1-9(19-7-3-6-18-2)13(17)16-12-5-4-10(14)8-11(12)15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeyGVTVYFSEDHKGJA-UHFFFAOYSA-N
XLogP2.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(4,4,4-trifluorobutoxy)propanamide
CID 82780960
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
CID 43127174
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
CID 60919078
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(2-amino-4-fluorophenyl)-2-(2-hydroxyethoxy)propanamide
CID 43823331
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560272
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide (CID 54936288) is N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide is COCCCOC(C)C(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide?
The InChIKey is GVTVYFSEDHKGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-9(19-7-3-6-18-2)13(17)16-12-5-4-10(14)8-11(12)15/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide?
N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide has a molecular weight of 286.76 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide is sourced from PubChem (CID 54936288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).