ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate

C15H20BrNO4 — CID 61012258

IUPACethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO4/c1-4-17(10-14(18)20-5-2)15(19)11(3)21-13-8-6-12(16)7-9-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyXOPZWFAVWLTWPJ-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.63
Rot. Bonds7

About ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate

ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate (PubChem CID 61012258) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
PubChem CID61012258
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Nameethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO4/c1-4-17(10-14(18)20-5-2)15(19)11(3)21-13-8-6-12(16)7-9-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyXOPZWFAVWLTWPJ-UHFFFAOYSA-N
XLogP2.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
CID 97027871
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
CID 61383641
N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
CID 119584955
ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate
CID 107905016
2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
CID 63367483
ethyl 2-[ethyl(2-methylpropanoyl)amino]acetate
CID 61021514
methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate
CID 60765971
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60831884
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
ethyl 2-(4-bromophenoxy)-3-methylbutanoate
CID 53269458
ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate
CID 78902033

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate (CID 61012258) is ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate?
The InChIKey is XOPZWFAVWLTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c1-4-17(10-14(18)20-5-2)15(19)11(3)21-13-8-6-12(16)7-9-13/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate?
ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate has a molecular weight of 358.23 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate is sourced from PubChem (CID 61012258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).