N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide

C8H16ClNO2 — CID 114297620

IUPACN-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOCCCl
InChIInChI=1S/C8H16ClNO2/c1-7(2)8(11)10-4-6-12-5-3-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyPGHFOVMKWGAAEZ-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.01
Rot. Bonds6

About N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide

N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide (PubChem CID 114297620) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
PubChem CID114297620
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOCCCl
InChIInChI=1S/C8H16ClNO2/c1-7(2)8(11)10-4-6-12-5-3-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyPGHFOVMKWGAAEZ-UHFFFAOYSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide
CID 104522334
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
1-[2-(2-chloroethoxy)ethyl]-3-methylurea
CID 157271726
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide (CID 114297620) is N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide?
The InChIKey is PGHFOVMKWGAAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-7(2)8(11)10-4-6-12-5-3-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide?
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide has a molecular weight of 193.67 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide is sourced from PubChem (CID 114297620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).