ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate

C13H16ClNO5 — CID 91288841

IUPACethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate
SMILESCCOC(=O)COC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO5/c1-2-18-12(16)9-20-13(17)15-7-8-19-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,17)
InChIKeyRWSJPGPMNDQJAJ-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.01
Rot. Bonds7

About ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate

ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate (PubChem CID 91288841) has the molecular formula C13H16ClNO5 and a molecular weight of 301.73 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate
PubChem CID91288841
Molecular FormulaC13H16ClNO5
Molecular Weight301.73 g/mol
Exact Mass301.07
IUPAC Nameethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate
SMILESCCOC(=O)COC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO5/c1-2-18-12(16)9-20-13(17)15-7-8-19-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,17)
InChIKeyRWSJPGPMNDQJAJ-UHFFFAOYSA-N
XLogP2.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
CID 112970926
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
nonyl 2-(4-chlorophenoxy)acetate
CID 91742043
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 30502854
1-butan-2-yl-3-[2-(4-chlorophenoxy)ethyl]urea
CID 47216540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate?
The IUPAC name of ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate (CID 91288841) is ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate.
What is the SMILES notation for ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate?
The canonical SMILES for ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate is CCOC(=O)COC(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate?
The InChIKey is RWSJPGPMNDQJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5/c1-2-18-12(16)9-20-13(17)15-7-8-19-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,17).
What are the key properties of ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate?
ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate has a molecular weight of 301.73 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate is sourced from PubChem (CID 91288841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).