[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate

C15H19ClN2O5 — CID 8615975

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCCCNC(=O)NC(=O)COC(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H19ClN2O5/c1-3-6-17-15(21)18-13(19)9-23-14(20)8-10-7-11(16)4-5-12(10)22-2/h4-5,7H,3,6,8-9H2,1-2H3,(H2,17,18,19,21)
InChIKeyHAKRUVXNUCWDBJ-UHFFFAOYSA-N
MW342.78 g/mol
LogP1.67
Rot. Bonds7

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8615975) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8615975
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCCCNC(=O)NC(=O)COC(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H19ClN2O5/c1-3-6-17-15(21)18-13(19)9-23-14(20)8-10-7-11(16)4-5-12(10)22-2/h4-5,7H,3,6,8-9H2,1-2H3,(H2,17,18,19,21)
InChIKeyHAKRUVXNUCWDBJ-UHFFFAOYSA-N
XLogP1.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615173
[2-(butylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8738375
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796300
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616487
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619206
methyl (2S)-2-[[2-[2-(5-chloro-2-methoxyphenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8616671
[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615444
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776426
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614821
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616530
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615797

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate (CID 8615975) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate is CCCNC(=O)NC(=O)COC(=O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is HAKRUVXNUCWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5/c1-3-6-17-15(21)18-13(19)9-23-14(20)8-10-7-11(16)4-5-12(10)22-2/h4-5,7H,3,6,8-9H2,1-2H3,(H2,17,18,19,21).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 342.78 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8615975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).