2-bromo-N-(2-butoxyethyl)propanamide

C9H18BrNO2 — CID 107904787

IUPAC2-bromo-N-(2-butoxyethyl)propanamide
SMILESCCCCOCCNC(=O)C(C)Br
InChIInChI=1S/C9H18BrNO2/c1-3-4-6-13-7-5-11-9(12)8(2)10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyHMTXSFOHGIRGHX-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.70
Rot. Bonds7

About 2-bromo-N-(2-butoxyethyl)propanamide

2-bromo-N-(2-butoxyethyl)propanamide (PubChem CID 107904787) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-bromo-N-(2-butoxyethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-butoxyethyl)propanamide
PubChem CID107904787
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name2-bromo-N-(2-butoxyethyl)propanamide
SMILESCCCCOCCNC(=O)C(C)Br
InChIInChI=1S/C9H18BrNO2/c1-3-4-6-13-7-5-11-9(12)8(2)10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyHMTXSFOHGIRGHX-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.70
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

N-(2-butoxyethyl)-2-chloropropanamide
CID 61177206
2-bromo-N-(3-butoxypropyl)-3-methylbutanamide
CID 115649429
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
N-(2-butoxyethyl)-2-(methylamino)acetamide
CID 61175686
N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-methylpropylamino)acetamide
CID 156547181
5-bromo-N-(2-butoxyethyl)pentanamide
CID 10016485
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155715449
2-methyl-N-[2-(4-methylpentoxy)ethyl]butanamide
CID 156530460

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-butoxyethyl)propanamide?
The IUPAC name of 2-bromo-N-(2-butoxyethyl)propanamide (CID 107904787) is 2-bromo-N-(2-butoxyethyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-butoxyethyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-butoxyethyl)propanamide is CCCCOCCNC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-(2-butoxyethyl)propanamide?
The InChIKey is HMTXSFOHGIRGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-3-4-6-13-7-5-11-9(12)8(2)10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-bromo-N-(2-butoxyethyl)propanamide?
2-bromo-N-(2-butoxyethyl)propanamide has a molecular weight of 252.15 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-butoxyethyl)propanamide is sourced from PubChem (CID 107904787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).