ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate

C13H17ClN2O4 — CID 108880029

IUPACethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O4/c1-3-19-12(17)8-15-13(18)16-9(2)20-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18)
InChIKeyAXGPWOXTPLPINW-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.93
Rot. Bonds6

About ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate

ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate (PubChem CID 108880029) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate
PubChem CID108880029
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Nameethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O4/c1-3-19-12(17)8-15-13(18)16-9(2)20-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18)
InChIKeyAXGPWOXTPLPINW-UHFFFAOYSA-N
XLogP1.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-chlorophenoxy)ethylcarbamoylamino]butanoic acid
CID 108879787
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
1-[1-(4-chlorophenoxy)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108879890
ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108880818
1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
CID 108879758
ethyl (2S,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoate
CID 11436840
1-[(2-bromophenyl)methyl]-3-[1-(4-chlorophenoxy)ethyl]urea
CID 108880036
1-[1-(4-chlorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108879801
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879726
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 60638891
ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate
CID 47278093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate (CID 108880029) is ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NC(C)Oc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate?
The InChIKey is AXGPWOXTPLPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-3-19-12(17)8-15-13(18)16-9(2)20-11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18).
What are the key properties of ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate?
ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate has a molecular weight of 300.74 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate is sourced from PubChem (CID 108880029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).