[[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C16H21Cl2N2O5+ — CID 166862491

IUPAC[[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)NOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N2O5/c1-11(2)16(22)23-8-7-20(3,4)19-25-15(21)10-24-14-6-5-12(17)9-13(14)18/h5-6,9,19H,1,7-8,10H2,2-4H3/q+1
InChIKeyAXWFGSOBOPCXKP-UHFFFAOYSA-N
MW392.26 g/mol
LogP2.53
Rot. Bonds9

About [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

[[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 166862491) has the molecular formula C16H21Cl2N2O5+ and a molecular weight of 392.26 g/mol. Its IUPAC name is [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Name[[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID166862491
Molecular FormulaC16H21Cl2N2O5+
Molecular Weight392.26 g/mol
Exact Mass391.08
IUPAC Name[[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)NOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N2O5/c1-11(2)16(22)23-8-7-20(3,4)19-25-15(21)10-24-14-6-5-12(17)9-13(14)18/h5-6,9,19H,1,7-8,10H2,2-4H3/q+1
InChIKeyAXWFGSOBOPCXKP-UHFFFAOYSA-N
XLogP2.53
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium 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

2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
(3,3-dimethylbut-1-en-2-ylamino) 2-(2,4-dichlorophenoxy)acetate
CID 2195214
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
(1-amino-3-methyl-1-oxobut-3-en-2-yl) 2-(2,4-dichlorophenoxy)acetate
CID 70373402
butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
hexadecyl 2-(2,4-dichlorophenoxy)acetate
CID 154124758
dodecyl 2-(2,4-dichlorophenoxy)acetate
CID 6454472
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721

Frequently Asked Questions

What is the IUPAC name of [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 166862491) is [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[N+](C)(C)NOC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is AXWFGSOBOPCXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N2O5/c1-11(2)16(22)23-8-7-20(3,4)19-25-15(21)10-24-14-6-5-12(17)9-13(14)18/h5-6,9,19H,1,7-8,10H2,2-4H3/q+1.
What are the key properties of [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
[[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 392.26 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2,4-dichlorophenoxy)acetyl]oxyamino]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 166862491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).