2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

C13H18BrNO3 — CID 115902380

IUPAC2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCO)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-18-8-6-15(5-7-16)13(17)10-11-3-2-4-12(14)9-11/h2-4,9,16H,5-8,10H2,1H3
InChIKeyOPBGADQWVZCBGR-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.46
Rot. Bonds7

About 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide (PubChem CID 115902380) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
PubChem CID115902380
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCO)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-18-8-6-15(5-7-16)13(17)10-11-3-2-4-12(14)9-11/h2-4,9,16H,5-8,10H2,1H3
InChIKeyOPBGADQWVZCBGR-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902504
2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771726
3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
CID 55348926
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
CID 113468253
N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide
CID 80659385
2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902198
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 62500315
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116
2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119348042
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide (CID 115902380) is 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide is COCCN(CCO)C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is OPBGADQWVZCBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-18-8-6-15(5-7-16)13(17)10-11-3-2-4-12(14)9-11/h2-4,9,16H,5-8,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 316.19 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115902380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).