2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide

C12H15Cl3N2O3 — CID 120991939

IUPAC2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide
SMILESCOCC(N)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O3/c1-19-6-10(16)12(18)17-2-3-20-11-8(14)4-7(13)5-9(11)15/h4-5,10H,2-3,6,16H2,1H3,(H,17,18)
InChIKeyTVAPJXXGKGHRFZ-UHFFFAOYSA-N
MW341.62 g/mol
LogP2.12
Rot. Bonds7

About 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide

2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide (PubChem CID 120991939) has the molecular formula C12H15Cl3N2O3 and a molecular weight of 341.62 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide
PubChem CID120991939
Molecular FormulaC12H15Cl3N2O3
Molecular Weight341.62 g/mol
Exact Mass340.01
IUPAC Name2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide
SMILESCOCC(N)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O3/c1-19-6-10(16)12(18)17-2-3-20-11-8(14)4-7(13)5-9(11)15/h4-5,10H,2-3,6,16H2,1H3,(H,17,18)
InChIKeyTVAPJXXGKGHRFZ-UHFFFAOYSA-N
XLogP2.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.62
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
CID 120992852
1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
CID 55088685
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
(2S)-2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119900821
methyl 3-[[N'-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamimidoyl]amino]propanoate
CID 109464366
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-[[(2-methoxyethylamino)-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110043283
N-(2-methoxyethyl)-2-[[N'-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 109464279
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
3,5-dichloro-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43516100

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide (CID 120991939) is 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide is COCC(N)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide?
The InChIKey is TVAPJXXGKGHRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O3/c1-19-6-10(16)12(18)17-2-3-20-11-8(14)4-7(13)5-9(11)15/h4-5,10H,2-3,6,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide?
2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide has a molecular weight of 341.62 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide is sourced from PubChem (CID 120991939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).