N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide

C11H14Cl2N2O3 — CID 39401573

IUPACN-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESNOCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c12-8-2-3-10(9(13)6-8)17-7-11(16)15-4-1-5-18-14/h2-3,6H,1,4-5,7,14H2,(H,15,16)
InChIKeyTZYVZPDYLOXRRG-UHFFFAOYSA-N
MW293.15 g/mol
LogP1.77
Rot. Bonds7

About N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide

N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 39401573) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID39401573
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC NameN-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESNOCCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c12-8-2-3-10(9(13)6-8)17-7-11(16)15-4-1-5-18-14/h2-3,6H,1,4-5,7,14H2,(H,15,16)
InChIKeyTZYVZPDYLOXRRG-UHFFFAOYSA-N
XLogP1.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
CID 14751497
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
CID 68958426
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
2-(2,4-dichlorophenoxy)-N-(3-ethenylsulfonylpropyl)acetamide
CID 147530715

Frequently Asked Questions

What is the IUPAC name of N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide (CID 39401573) is N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide is NOCCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is TZYVZPDYLOXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c12-8-2-3-10(9(13)6-8)17-7-11(16)15-4-1-5-18-14/h2-3,6H,1,4-5,7,14H2,(H,15,16).
What are the key properties of N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide?
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 293.15 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 39401573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).