methyl 4-(2-acetamidoethoxy)benzoate

C12H15NO4 — CID 3104610

IUPACmethyl 4-(2-acetamidoethoxy)benzoate
SMILESCOC(=O)c1ccc(OCCNC(C)=O)cc1
InChIInChI=1S/C12H15NO4/c1-9(14)13-7-8-17-11-5-3-10(4-6-11)12(15)16-2/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyRQJUFPXMHJKXAZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.99
Rot. Bonds5

About methyl 4-(2-acetamidoethoxy)benzoate

methyl 4-(2-acetamidoethoxy)benzoate (PubChem CID 3104610) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 4-(2-acetamidoethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-acetamidoethoxy)benzoate
PubChem CID3104610
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 4-(2-acetamidoethoxy)benzoate
SMILESCOC(=O)c1ccc(OCCNC(C)=O)cc1
InChIInChI=1S/C12H15NO4/c1-9(14)13-7-8-17-11-5-3-10(4-6-11)12(15)16-2/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyRQJUFPXMHJKXAZ-UHFFFAOYSA-N
XLogP0.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-(fluoroamino)ethoxy]benzoate
CID 143872134
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
methyl 4-(4-oxopentoxy)benzoate
CID 67943009
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate
CID 157094807
methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate
CID 146673178
methyl 4-[2-(4-chloroanilino)ethoxy]benzoate
CID 15086593

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-acetamidoethoxy)benzoate?
The IUPAC name of methyl 4-(2-acetamidoethoxy)benzoate (CID 3104610) is methyl 4-(2-acetamidoethoxy)benzoate.
What is the SMILES notation for methyl 4-(2-acetamidoethoxy)benzoate?
The canonical SMILES for methyl 4-(2-acetamidoethoxy)benzoate is COC(=O)c1ccc(OCCNC(C)=O)cc1.
What is the InChIKey of methyl 4-(2-acetamidoethoxy)benzoate?
The InChIKey is RQJUFPXMHJKXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9(14)13-7-8-17-11-5-3-10(4-6-11)12(15)16-2/h3-6H,7-8H2,1-2H3,(H,13,14).
What are the key properties of methyl 4-(2-acetamidoethoxy)benzoate?
methyl 4-(2-acetamidoethoxy)benzoate has a molecular weight of 237.25 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-acetamidoethoxy)benzoate is sourced from PubChem (CID 3104610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).