ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate

C14H19N3O4 — CID 106955971

IUPACethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
SMILESCCOC(=O)c1cc(N)ccc1OCCN1CCNC1=O
InChIInChI=1S/C14H19N3O4/c1-2-20-13(18)11-9-10(15)3-4-12(11)21-8-7-17-6-5-16-14(17)19/h3-4,9H,2,5-8,15H2,1H3,(H,16,19)
InChIKeySECVWELJGWPFHE-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.85
Rot. Bonds6

About ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate

ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate (PubChem CID 106955971) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
PubChem CID106955971
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
SMILESCCOC(=O)c1cc(N)ccc1OCCN1CCNC1=O
InChIInChI=1S/C14H19N3O4/c1-2-20-13(18)11-9-10(15)3-4-12(11)21-8-7-17-6-5-16-14(17)19/h3-4,9H,2,5-8,15H2,1H3,(H,16,19)
InChIKeySECVWELJGWPFHE-UHFFFAOYSA-N
XLogP0.85
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-2-(3-fluoropropoxy)benzoate
CID 106955925
ethyl 5-amino-2-(2-propoxyethoxy)benzoate
CID 55232457
1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 43504906
1-[2-[2-ethoxy-4-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28561686
ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
CID 106203446
1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 63325459
2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate
CID 61321753
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
CID 106955980
ethyl 5-amino-2-methoxybenzoate
CID 22180184
3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile
CID 61388215
1-[2-(2-acetyl-5-fluorophenoxy)ethyl]imidazolidin-2-one
CID 55146500
1-[2-(3-hydroxy-2-methylphenoxy)ethyl]imidazolidin-2-one
CID 43143307

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate?
The IUPAC name of ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate (CID 106955971) is ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate.
What is the SMILES notation for ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate?
The canonical SMILES for ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate is CCOC(=O)c1cc(N)ccc1OCCN1CCNC1=O.
What is the InChIKey of ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate?
The InChIKey is SECVWELJGWPFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-20-13(18)11-9-10(15)3-4-12(11)21-8-7-17-6-5-16-14(17)19/h3-4,9H,2,5-8,15H2,1H3,(H,16,19).
What are the key properties of ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate?
ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate has a molecular weight of 293.32 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate is sourced from PubChem (CID 106955971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).