2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C17H34BrNO7 — CID 90995903

IUPAC2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCCCOCCOCCOCCOCCOCCOCCNC(=O)CBr
InChIInChI=1S/C17H34BrNO7/c1-2-4-21-6-8-23-10-12-25-14-15-26-13-11-24-9-7-22-5-3-19-17(20)16-18/h2-16H2,1H3,(H,19,20)
InChIKeyRWLVDZVUAXSXFO-UHFFFAOYSA-N
MW444.36 g/mol
LogP1.01
Rot. Bonds21

About 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 90995903) has the molecular formula C17H34BrNO7 and a molecular weight of 444.36 g/mol. Its IUPAC name is 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID90995903
Molecular FormulaC17H34BrNO7
Molecular Weight444.36 g/mol
Exact Mass443.15
IUPAC Name2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCCCOCCOCCOCCOCCOCCOCCNC(=O)CBr
InChIInChI=1S/C17H34BrNO7/c1-2-4-21-6-8-23-10-12-25-14-15-26-13-11-24-9-7-22-5-3-19-17(20)16-18/h2-16H2,1H3,(H,19,20)
InChIKeyRWLVDZVUAXSXFO-UHFFFAOYSA-N
XLogP1.01
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-propoxyethoxy)ethyl]butanamide
CID 88853938
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
2-[ethyl(methyl)amino]-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 139373767
2-(2-oxopropoxy)-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 123445865

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 90995903) is 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is CCCOCCOCCOCCOCCOCCOCCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is RWLVDZVUAXSXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrNO7/c1-2-4-21-6-8-23-10-12-25-14-15-26-13-11-24-9-7-22-5-3-19-17(20)16-18/h2-16H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 444.36 g/mol, XLogP of 1.01, 21 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 90995903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).