ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate

C18H24N2O6 — CID 2749627

IUPACethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(CC(=O)OCC)c(NC(C)=O)cc1NC(C)=O
InChIInChI=1S/C18H24N2O6/c1-5-25-17(23)8-13-7-14(9-18(24)26-6-2)16(20-12(4)22)10-15(13)19-11(3)21/h7,10H,5-6,8-9H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyZDQCXOFAKKMQSQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.81
Rot. Bonds8

About ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate

ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate (PubChem CID 2749627) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate
PubChem CID2749627
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Nameethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(CC(=O)OCC)c(NC(C)=O)cc1NC(C)=O
InChIInChI=1S/C18H24N2O6/c1-5-25-17(23)8-13-7-14(9-18(24)26-6-2)16(20-12(4)22)10-15(13)19-11(3)21/h7,10H,5-6,8-9H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyZDQCXOFAKKMQSQ-UHFFFAOYSA-N
XLogP1.81
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate (CID 2749627) is ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate is CCOC(=O)Cc1cc(CC(=O)OCC)c(NC(C)=O)cc1NC(C)=O.
What is the InChIKey of ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate?
The InChIKey is ZDQCXOFAKKMQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-5-25-17(23)8-13-7-14(9-18(24)26-6-2)16(20-12(4)22)10-15(13)19-11(3)21/h7,10H,5-6,8-9H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate?
ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate has a molecular weight of 364.40 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate is sourced from PubChem (CID 2749627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).