2-(bromomethoxy)-N-propylacetamide

C6H12BrNO2 — CID 140767535

IUPAC2-(bromomethoxy)-N-propylacetamide
SMILESCCCNC(=O)COCBr
InChIInChI=1S/C6H12BrNO2/c1-2-3-8-6(9)4-10-5-7/h2-5H2,1H3,(H,8,9)
InChIKeyQBVUXDKZBNHMDB-UHFFFAOYSA-N
MW210.07 g/mol
LogP0.88
Rot. Bonds5

About 2-(bromomethoxy)-N-propylacetamide

2-(bromomethoxy)-N-propylacetamide (PubChem CID 140767535) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-(bromomethoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(bromomethoxy)-N-propylacetamide
PubChem CID140767535
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC Name2-(bromomethoxy)-N-propylacetamide
SMILESCCCNC(=O)COCBr
InChIInChI=1S/C6H12BrNO2/c1-2-3-8-6(9)4-10-5-7/h2-5H2,1H3,(H,8,9)
InChIKeyQBVUXDKZBNHMDB-UHFFFAOYSA-N
XLogP0.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-amino-2-methylpropoxy)-N-propylacetamide
CID 64538186
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
CID 90261180
3-bromo-N-propylpropanamide
CID 12680973
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
2-(2-aminoethoxy)-N-butylacetamide
CID 62343440
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
ethane;3-propoxy-N-propylpropanamide
CID 163269237
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethoxy)-N-propylacetamide?
The IUPAC name of 2-(bromomethoxy)-N-propylacetamide (CID 140767535) is 2-(bromomethoxy)-N-propylacetamide.
What is the SMILES notation for 2-(bromomethoxy)-N-propylacetamide?
The canonical SMILES for 2-(bromomethoxy)-N-propylacetamide is CCCNC(=O)COCBr.
What is the InChIKey of 2-(bromomethoxy)-N-propylacetamide?
The InChIKey is QBVUXDKZBNHMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2/c1-2-3-8-6(9)4-10-5-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 2-(bromomethoxy)-N-propylacetamide?
2-(bromomethoxy)-N-propylacetamide has a molecular weight of 210.07 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethoxy)-N-propylacetamide is sourced from PubChem (CID 140767535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).