2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide

C14H20BrNO4 — CID 112777986

IUPAC2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)COc1ccccc1Br
InChIInChI=1S/C14H20BrNO4/c1-18-9-7-16(8-10-19-2)14(17)11-20-13-6-4-3-5-12(13)15/h3-6H,7-11H2,1-2H3
InChIKeyRKADZRORWWOCSX-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.95
Rot. Bonds9

About 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide

2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 112777986) has the molecular formula C14H20BrNO4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide
PubChem CID112777986
Molecular FormulaC14H20BrNO4
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)COc1ccccc1Br
InChIInChI=1S/C14H20BrNO4/c1-18-9-7-16(8-10-19-2)14(17)11-20-13-6-4-3-5-12(13)15/h3-6H,7-11H2,1-2H3
InChIKeyRKADZRORWWOCSX-UHFFFAOYSA-N
XLogP1.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902198
2-[[2-(2-bromophenoxy)acetyl]-propylamino]acetic acid
CID 120519580
N,N-bis(2-methoxyethyl)-2-naphthalen-2-yloxyacetamide
CID 78763769
2-(2-acetamidophenoxy)-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9017946
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)acetamide
CID 78762157
1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
2-(2-acetylphenoxy)-N,N-dipropylacetamide
CID 82312013
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55981552
2-(4-ethoxyphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902367
2-[4-(aminomethyl)phenoxy]-N,N-bis(2-methoxyethyl)acetamide
CID 43587285

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide (CID 112777986) is 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is RKADZRORWWOCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4/c1-18-9-7-16(8-10-19-2)14(17)11-20-13-6-4-3-5-12(13)15/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide?
2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 346.22 g/mol, XLogP of 1.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 112777986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).