3-(3-bromopropoxy)propanamide

C6H12BrNO2 — CID 87796003

IUPAC3-(3-bromopropoxy)propanamide
SMILESNC(=O)CCOCCCBr
InChIInChI=1S/C6H12BrNO2/c7-3-1-4-10-5-2-6(8)9/h1-5H2,(H2,8,9)
InChIKeyXZKDQEUZRPJYBH-UHFFFAOYSA-N
MW210.07 g/mol
LogP0.66
Rot. Bonds6

About 3-(3-bromopropoxy)propanamide

3-(3-bromopropoxy)propanamide (PubChem CID 87796003) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 3-(3-bromopropoxy)propanamide.

Molecular Properties

Compound Name3-(3-bromopropoxy)propanamide
PubChem CID87796003
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC Name3-(3-bromopropoxy)propanamide
SMILESNC(=O)CCOCCCBr
InChIInChI=1S/C6H12BrNO2/c7-3-1-4-10-5-2-6(8)9/h1-5H2,(H2,8,9)
InChIKeyXZKDQEUZRPJYBH-UHFFFAOYSA-N
XLogP0.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 50.66
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

3-butoxypropanamide;ethane
CID 176554640
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
3-(3-bromopropoxy)propanoyl chloride
CID 86619721
3-dodecoxypropanamide
CID 22235134
3-dodecoxypropanamide;hydrobromide
CID 175357705
3-[(3-amino-3-oxopropoxy)methoxy]propanamide
CID 87272054
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 178004606
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
bis(3-bromopropyl) hexanedioate
CID 11188379

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropoxy)propanamide?
The IUPAC name of 3-(3-bromopropoxy)propanamide (CID 87796003) is 3-(3-bromopropoxy)propanamide.
What is the SMILES notation for 3-(3-bromopropoxy)propanamide?
The canonical SMILES for 3-(3-bromopropoxy)propanamide is NC(=O)CCOCCCBr.
What is the InChIKey of 3-(3-bromopropoxy)propanamide?
The InChIKey is XZKDQEUZRPJYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2/c7-3-1-4-10-5-2-6(8)9/h1-5H2,(H2,8,9).
What are the key properties of 3-(3-bromopropoxy)propanamide?
3-(3-bromopropoxy)propanamide has a molecular weight of 210.07 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropoxy)propanamide is sourced from PubChem (CID 87796003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).