2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide

C9H18BrNO3 — CID 63678594

IUPAC2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(CCOC)C(=O)CBr
InChIInChI=1S/C9H18BrNO3/c1-13-6-3-4-11(5-7-14-2)9(12)8-10/h3-8H2,1-2H3
InChIKeyHZFMXPDPZXTZSX-UHFFFAOYSA-N
MW268.15 g/mol
LogP0.89
Rot. Bonds8

About 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide

2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide (PubChem CID 63678594) has the molecular formula C9H18BrNO3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
PubChem CID63678594
Molecular FormulaC9H18BrNO3
Molecular Weight268.15 g/mol
Exact Mass267.05
IUPAC Name2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(CCOC)C(=O)CBr
InChIInChI=1S/C9H18BrNO3/c1-13-6-3-4-11(5-7-14-2)9(12)8-10/h3-8H2,1-2H3
InChIKeyHZFMXPDPZXTZSX-UHFFFAOYSA-N
XLogP0.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)hexanamide
CID 82851354
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957904
2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
CID 168863060
3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114896858
2-ethoxy-N,N-bis(2-methoxyethyl)acetamide
CID 60636441
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096795
2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide
CID 61217362
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980754

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide (CID 63678594) is 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide is COCCCN(CCOC)C(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide?
The InChIKey is HZFMXPDPZXTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3/c1-13-6-3-4-11(5-7-14-2)9(12)8-10/h3-8H2,1-2H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide?
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide has a molecular weight of 268.15 g/mol, XLogP of 0.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 63678594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).