2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide

C14H26Br2N2O5 — CID 164805844

IUPAC2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
SMILESO=C(CBr)NCCCOCCOCCOCCCNC(=O)CBr
InChIInChI=1S/C14H26Br2N2O5/c15-11-13(19)17-3-1-5-21-7-9-23-10-8-22-6-2-4-18-14(20)12-16/h1-12H2,(H,17,19)(H,18,20)
InChIKeyJMWKSGTZDZUAAG-UHFFFAOYSA-N
MW462.18 g/mol
LogP0.84
Rot. Bonds16

About 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide

2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide (PubChem CID 164805844) has the molecular formula C14H26Br2N2O5 and a molecular weight of 462.18 g/mol. Its IUPAC name is 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
PubChem CID164805844
Molecular FormulaC14H26Br2N2O5
Molecular Weight462.18 g/mol
Exact Mass460.02
IUPAC Name2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
SMILESO=C(CBr)NCCCOCCOCCOCCCNC(=O)CBr
InChIInChI=1S/C14H26Br2N2O5/c15-11-13(19)17-3-1-5-21-7-9-23-10-8-22-6-2-4-18-14(20)12-16/h1-12H2,(H,17,19)(H,18,20)
InChIKeyJMWKSGTZDZUAAG-UHFFFAOYSA-N
XLogP0.84
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
CID 82108968
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
CID 123586963
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
20-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
CID 167312677
16-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 167312728
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 166555356
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide?
The IUPAC name of 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide (CID 164805844) is 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide.
What is the SMILES notation for 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide?
The canonical SMILES for 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide is O=C(CBr)NCCCOCCOCCOCCCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide?
The InChIKey is JMWKSGTZDZUAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Br2N2O5/c15-11-13(19)17-3-1-5-21-7-9-23-10-8-22-6-2-4-18-14(20)12-16/h1-12H2,(H,17,19)(H,18,20).
What are the key properties of 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide?
2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide has a molecular weight of 462.18 g/mol, XLogP of 0.84, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide is sourced from PubChem (CID 164805844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).