2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide

C9H16Cl2N2O4 — CID 108574831

IUPAC2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide
SMILESCOCCOCC(=O)NCCNC(=O)C(Cl)Cl
InChIInChI=1S/C9H16Cl2N2O4/c1-16-4-5-17-6-7(14)12-2-3-13-9(15)8(10)11/h8H,2-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyDKOSCILXARBJLS-UHFFFAOYSA-N
MW287.14 g/mol
LogP-0.31
Rot. Bonds9

About 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide

2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide (PubChem CID 108574831) has the molecular formula C9H16Cl2N2O4 and a molecular weight of 287.14 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide
PubChem CID108574831
Molecular FormulaC9H16Cl2N2O4
Molecular Weight287.14 g/mol
Exact Mass286.05
IUPAC Name2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide
SMILESCOCCOCC(=O)NCCNC(=O)C(Cl)Cl
InChIInChI=1S/C9H16Cl2N2O4/c1-16-4-5-17-6-7(14)12-2-3-13-9(15)8(10)11/h8H,2-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyDKOSCILXARBJLS-UHFFFAOYSA-N
XLogP-0.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
N-ethyl-2-(2-methoxyethoxy)acetamide
CID 60651065
2-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 103606873
N-(3-bromo-4-methoxybutyl)-2-(2-methoxyethoxy)acetamide
CID 106245181
N-[2-(diethylcarbamoylamino)ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574836
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161
2-(2-methoxyethoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628176
N-(2-methoxyethyl)-2-[2-[2-[2-(methylamino)ethylcarbamoylamino]ethoxy]ethoxy]acetamide
CID 123372853

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide (CID 108574831) is 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide is COCCOCC(=O)NCCNC(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide?
The InChIKey is DKOSCILXARBJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2N2O4/c1-16-4-5-17-6-7(14)12-2-3-13-9(15)8(10)11/h8H,2-6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide?
2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide has a molecular weight of 287.14 g/mol, XLogP of -0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 108574831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).