methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate

C15H18BrNO4 — CID 110664958

IUPACmethyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H18BrNO4/c1-20-15(19)7-6-14(18)17-8-9-21-13(10-17)11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyQLPNASRVACZAQL-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.30
Rot. Bonds4

About methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate

methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate (PubChem CID 110664958) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
PubChem CID110664958
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Namemethyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H18BrNO4/c1-20-15(19)7-6-14(18)17-8-9-21-13(10-17)11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyQLPNASRVACZAQL-UHFFFAOYSA-N
XLogP2.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate with MolForge

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Related Compounds

4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
CID 110664960
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
4-[[2-(4-bromophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021453
1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
CID 110632312
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
CID 119302691
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167
N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 60586938
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate (CID 110664958) is methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate is COC(=O)CCC(=O)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate?
The InChIKey is QLPNASRVACZAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-20-15(19)7-6-14(18)17-8-9-21-13(10-17)11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3.
What are the key properties of methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate?
methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate has a molecular weight of 356.22 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate is sourced from PubChem (CID 110664958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).