ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate

C15H22N2O5 — CID 108572439

IUPACethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)COc1ccccc1OCC
InChIInChI=1S/C15H22N2O5/c1-3-20-12-7-5-6-8-13(12)22-11-14(18)16-9-10-17-15(19)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWZDGYSTVGABOSO-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.33
Rot. Bonds9

About ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate

ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate (PubChem CID 108572439) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
PubChem CID108572439
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nameethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)COc1ccccc1OCC
InChIInChI=1S/C15H22N2O5/c1-3-20-12-7-5-6-8-13(12)22-11-14(18)16-9-10-17-15(19)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWZDGYSTVGABOSO-UHFFFAOYSA-N
XLogP1.33
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 119548058
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
2-(2-ethoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 78794400
tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918727
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
CID 56558869
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
CID 108893525
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-(2-ethoxyphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82726093

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate (CID 108572439) is ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)COc1ccccc1OCC.
What is the InChIKey of ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate?
The InChIKey is WZDGYSTVGABOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-3-20-12-7-5-6-8-13(12)22-11-14(18)16-9-10-17-15(19)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate?
ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate has a molecular weight of 310.35 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 108572439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).