[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate

C15H18BrNO7 — CID 8921177

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
SMILESCCOC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C15H18BrNO7/c1-4-23-15(20)17-13(18)8-24-14(19)6-9-5-11(21-2)12(22-3)7-10(9)16/h5,7H,4,6,8H2,1-3H3,(H,17,18,20)
InChIKeyDAHNOHOBJGSMMK-UHFFFAOYSA-N
MW404.21 g/mol
LogP1.82
Rot. Bonds7

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate (PubChem CID 8921177) has the molecular formula C15H18BrNO7 and a molecular weight of 404.21 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
PubChem CID8921177
Molecular FormulaC15H18BrNO7
Molecular Weight404.21 g/mol
Exact Mass403.03
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
SMILESCCOC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C15H18BrNO7/c1-4-23-15(20)17-13(18)8-24-14(19)6-9-5-11(21-2)12(22-3)7-10(9)16/h5,7H,4,6,8H2,1-3H3,(H,17,18,20)
InChIKeyDAHNOHOBJGSMMK-UHFFFAOYSA-N
XLogP1.82
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(butan-2-ylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 43032140
[2-(dimethylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 8921159
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 27766535
2-methylprop-2-enyl 2-(2-bromo-4,5-diethoxyphenyl)acetate
CID 55476277
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43215127
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561154
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate
CID 8914727
ethyl (2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutanoate
CID 134973675
[2-(ethoxycarbonylamino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253521
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119316725
ethyl 2-[5-amino-2-bromo-4-(difluoromethoxy)phenyl]acetate
CID 171019228

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate (CID 8921177) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate is CCOC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)cc1Br.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
The InChIKey is DAHNOHOBJGSMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO7/c1-4-23-15(20)17-13(18)8-24-14(19)6-9-5-11(21-2)12(22-3)7-10(9)16/h5,7H,4,6,8H2,1-3H3,(H,17,18,20).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate has a molecular weight of 404.21 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 8921177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).