[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate

C15H14BrNO4 — CID 40627603

IUPAC[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate
SMILESCNC(=O)COC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C15H14BrNO4/c1-17-13(18)8-21-14(19)9-20-12-7-6-10-4-2-3-5-11(10)15(12)16/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyCMMHMHDHOMGUHY-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.27
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate

[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate (PubChem CID 40627603) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate
PubChem CID40627603
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate
SMILESCNC(=O)COC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C15H14BrNO4/c1-17-13(18)8-21-14(19)9-20-12-7-6-10-4-2-3-5-11(10)15(12)16/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyCMMHMHDHOMGUHY-UHFFFAOYSA-N
XLogP2.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate with MolForge

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Related Compounds

methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270
(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
CID 7918561
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
CID 37006365
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
methyl 3-(1-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoate
CID 79622787
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate (CID 40627603) is [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate is CNC(=O)COC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate?
The InChIKey is CMMHMHDHOMGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-17-13(18)8-21-14(19)9-20-12-7-6-10-4-2-3-5-11(10)15(12)16/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate?
[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate has a molecular weight of 352.18 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate is sourced from PubChem (CID 40627603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).