[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

C15H19N3O6 — CID 3000196

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCNC(=O)NC(=O)COC(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C15H19N3O6/c1-2-16-15(22)18-13(20)10-24-14(21)8-17-12(19)9-23-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,19)(H2,16,18,20,22)
InChIKeyRLWCHQKYMLRVHA-UHFFFAOYSA-N
MW337.33 g/mol
LogP-0.43
Rot. Bonds8

About [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 3000196) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID3000196
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCNC(=O)NC(=O)COC(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C15H19N3O6/c1-2-16-15(22)18-13(20)10-24-14(21)8-17-12(19)9-23-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,19)(H2,16,18,20,22)
InChIKeyRLWCHQKYMLRVHA-UHFFFAOYSA-N
XLogP-0.43
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (CID 3000196) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is CCNC(=O)NC(=O)COC(=O)CNC(=O)COc1ccccc1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is RLWCHQKYMLRVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6/c1-2-16-15(22)18-13(20)10-24-14(21)8-17-12(19)9-23-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,19)(H2,16,18,20,22).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 337.33 g/mol, XLogP of -0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 3000196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).