[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate

C14H17NO7 — CID 7561154

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H17NO7/c1-4-21-14(18)15-12(16)8-22-13(17)10-7-9(19-2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3,(H,15,16,18)
InChIKeyHJWHHWYEVSNSLI-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.13
Rot. Bonds6

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate (PubChem CID 7561154) has the molecular formula C14H17NO7 and a molecular weight of 311.29 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
PubChem CID7561154
Molecular FormulaC14H17NO7
Molecular Weight311.29 g/mol
Exact Mass311.10
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H17NO7/c1-4-21-14(18)15-12(16)8-22-13(17)10-7-9(19-2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3,(H,15,16,18)
InChIKeyHJWHHWYEVSNSLI-UHFFFAOYSA-N
XLogP1.13
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596815
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7487592
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561076
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586819
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561176
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561072
[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504725
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate
CID 7586714
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586962

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate (CID 7561154) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate is CCOC(=O)NC(=O)COC(=O)c1cc(OC)ccc1OC.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate?
The InChIKey is HJWHHWYEVSNSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO7/c1-4-21-14(18)15-12(16)8-22-13(17)10-7-9(19-2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3,(H,15,16,18).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate has a molecular weight of 311.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7561154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).