[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate

C18H18BrNO5 — CID 7842501

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCOc1cccc(CNC(=O)COC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H18BrNO5/c1-23-16-4-2-3-13(9-16)10-20-17(21)11-25-18(22)12-24-15-7-5-14(19)6-8-15/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyRHSHKWVGRFQOIR-UHFFFAOYSA-N
MW408.25 g/mol
LogP2.70
Rot. Bonds8

About [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate (PubChem CID 7842501) has the molecular formula C18H18BrNO5 and a molecular weight of 408.25 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
PubChem CID7842501
Molecular FormulaC18H18BrNO5
Molecular Weight408.25 g/mol
Exact Mass407.04
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESCOc1cccc(CNC(=O)COC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C18H18BrNO5/c1-23-16-4-2-3-13(9-16)10-20-17(21)11-25-18(22)12-24-15-7-5-14(19)6-8-15/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyRHSHKWVGRFQOIR-UHFFFAOYSA-N
XLogP2.70
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18206466
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
[2-[(3-bromophenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860539
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate
CID 99783925

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate (CID 7842501) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate is COc1cccc(CNC(=O)COC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The InChIKey is RHSHKWVGRFQOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO5/c1-23-16-4-2-3-13(9-16)10-20-17(21)11-25-18(22)12-24-15-7-5-14(19)6-8-15/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate has a molecular weight of 408.25 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 7842501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).