ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

C13H17NO5 — CID 3118688

IUPACethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17NO5/c1-4-19-12(15)8-14-13(16)9-5-10(17-2)7-11(6-9)18-3/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyLRLAGTZUEVMKAT-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.00
Rot. Bonds6

About ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 3118688) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID3118688
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Nameethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17NO5/c1-4-19-12(15)8-14-13(16)9-5-10(17-2)7-11(6-9)18-3/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyLRLAGTZUEVMKAT-UHFFFAOYSA-N
XLogP1.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 3118688) is ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is LRLAGTZUEVMKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-19-12(15)8-14-13(16)9-5-10(17-2)7-11(6-9)18-3/h5-7H,4,8H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 267.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 3118688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).