ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate

C16H22N2O5 — CID 2750267

IUPACethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(NC(C)=O)c(CC(=O)OCC)cc1N
InChIInChI=1S/C16H22N2O5/c1-4-22-15(20)8-11-7-14(18-10(3)19)12(6-13(11)17)9-16(21)23-5-2/h6-7H,4-5,8-9,17H2,1-3H3,(H,18,19)
InChIKeyUXHKKHDMYDSNQX-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.44
Rot. Bonds7

About ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate

ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate (PubChem CID 2750267) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate
PubChem CID2750267
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Nameethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(NC(C)=O)c(CC(=O)OCC)cc1N
InChIInChI=1S/C16H22N2O5/c1-4-22-15(20)8-11-7-14(18-10(3)19)12(6-13(11)17)9-16(21)23-5-2/h6-7H,4-5,8-9,17H2,1-3H3,(H,18,19)
InChIKeyUXHKKHDMYDSNQX-UHFFFAOYSA-N
XLogP1.44
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 2749627
ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547
ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
CID 86073966
ethyl 2-(2-amino-5-bromophenyl)acetate
CID 170997063
ethyl 2-(5-amino-2-bromo-4-pyridinyl)acetate
CID 133098456
ethyl 2-(2-amino-4-chloro-5-nitrophenyl)acetate
CID 171021629
ethyl 2-[4-amino-2,5-bis(trifluoromethyl)phenyl]acetate
CID 134633207
ethyl 2-[5-amino-2-bromo-4-(trifluoromethyl)phenyl]acetate
CID 134633507
ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
CID 134632289
O-ethyl 2-(5-acetamido-2-bromo-4-fluorophenyl)ethanethioate
CID 139689956
ethyl 2-(5-amino-3-bromo-2-fluorophenyl)acetate
CID 171020094
ethyl 2-(2,3-dichloro-4-hydroxyphenyl)acetate
CID 171030250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate (CID 2750267) is ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate is CCOC(=O)Cc1cc(NC(C)=O)c(CC(=O)OCC)cc1N.
What is the InChIKey of ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate?
The InChIKey is UXHKKHDMYDSNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-22-15(20)8-11-7-14(18-10(3)19)12(6-13(11)17)9-16(21)23-5-2/h6-7H,4-5,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate?
ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate has a molecular weight of 322.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-acetamido-5-amino-4-(2-ethoxy-2-oxoethyl)phenyl]acetate is sourced from PubChem (CID 2750267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).