N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide

C10H20ClNO3 — CID 106306751

IUPACN-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCCCOCCCl
InChIInChI=1S/C10H20ClNO3/c1-2-6-15-9-10(13)12-5-3-7-14-8-4-11/h2-9H2,1H3,(H,12,13)
InChIKeyRYIRDMNEVVJMBW-UHFFFAOYSA-N
MW237.73 g/mol
LogP1.17
Rot. Bonds10

About N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide

N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide (PubChem CID 106306751) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide
PubChem CID106306751
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC NameN-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCCCOCCCl
InChIInChI=1S/C10H20ClNO3/c1-2-6-15-9-10(13)12-5-3-7-14-8-4-11/h2-9H2,1H3,(H,12,13)
InChIKeyRYIRDMNEVVJMBW-UHFFFAOYSA-N
XLogP1.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.17
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-[3-(2-chloroethoxy)propyl]butanamide
CID 106306571
2-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
N-(5-iodopentyl)-2-propoxyacetamide
CID 107941565
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
N-(11-oxododecyl)-2-propoxyacetamide
CID 20692360
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
2-(2-butoxyethoxy)-N-(2-hydroxyethyl)acetamide
CID 89471630

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide (CID 106306751) is N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide is CCCOCC(=O)NCCCOCCCl.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide?
The InChIKey is RYIRDMNEVVJMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3/c1-2-6-15-9-10(13)12-5-3-7-14-8-4-11/h2-9H2,1H3,(H,12,13).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide?
N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide has a molecular weight of 237.73 g/mol, XLogP of 1.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide is sourced from PubChem (CID 106306751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).