N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide

C12H24ClNO3 — CID 106117629

IUPACN-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide
SMILESCCCC(CCCl)CNC(=O)COCCOC
InChIInChI=1S/C12H24ClNO3/c1-3-4-11(5-6-13)9-14-12(15)10-17-8-7-16-2/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyIWUZJLHQVLLDCD-UHFFFAOYSA-N
MW265.78 g/mol
LogP1.81
Rot. Bonds11

About N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide

N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 106117629) has the molecular formula C12H24ClNO3 and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide
PubChem CID106117629
Molecular FormulaC12H24ClNO3
Molecular Weight265.78 g/mol
Exact Mass265.14
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide
SMILESCCCC(CCCl)CNC(=O)COCCOC
InChIInChI=1S/C12H24ClNO3/c1-3-4-11(5-6-13)9-14-12(15)10-17-8-7-16-2/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyIWUZJLHQVLLDCD-UHFFFAOYSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloroethyl)pentyl]-2-methoxyethanesulfonamide
CID 106118276
N-ethyl-2-(2-methoxyethoxy)acetamide
CID 60651065
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide
CID 103771921
N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide
CID 114145672
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide
CID 108574831
N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide
CID 106117591
N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide
CID 106117502
N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
CID 106116087
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
methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]acetate
CID 43431221

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide (CID 106117629) is N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide is CCCC(CCCl)CNC(=O)COCCOC.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is IWUZJLHQVLLDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO3/c1-3-4-11(5-6-13)9-14-12(15)10-17-8-7-16-2/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide?
N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 265.78 g/mol, XLogP of 1.81, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 106117629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).