3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide

C15H22BrNO4 — CID 55348926

IUPAC3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO4/c1-19-10-7-17(8-11-20-2)15(18)6-9-21-14-5-3-4-13(16)12-14/h3-5,12H,6-11H2,1-2H3
InChIKeyURIICYJAMMYQNP-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.34
Rot. Bonds10

About 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide

3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide (PubChem CID 55348926) has the molecular formula C15H22BrNO4 and a molecular weight of 360.25 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
PubChem CID55348926
Molecular FormulaC15H22BrNO4
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO4/c1-19-10-7-17(8-11-20-2)15(18)6-9-21-14-5-3-4-13(16)12-14/h3-5,12H,6-11H2,1-2H3
InChIKeyURIICYJAMMYQNP-UHFFFAOYSA-N
XLogP2.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902504
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381655
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
2-(3-bromophenoxy)-N,N-dipropylacetamide
CID 112977337
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
methyl 4-[2-(3-bromophenoxy)ethyl-methylamino]butanoate
CID 62012123
2-[3-(3-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60832392
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)acetamide
CID 78762157

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide (CID 55348926) is 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide is COCCN(CCOC)C(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide?
The InChIKey is URIICYJAMMYQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4/c1-19-10-7-17(8-11-20-2)15(18)6-9-21-14-5-3-4-13(16)12-14/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide?
3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide has a molecular weight of 360.25 g/mol, XLogP of 2.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide is sourced from PubChem (CID 55348926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).