ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate

C10H19N3O4 — CID 167313876

IUPACethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate
SMILESCCCNC(=O)CNC(=O)CNC(=O)OCC
InChIInChI=1S/C10H19N3O4/c1-3-5-11-8(14)6-12-9(15)7-13-10(16)17-4-2/h3-7H2,1-2H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyVERNRXRQTZXQMH-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.63
Rot. Bonds7

About ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate

ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate (PubChem CID 167313876) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate
PubChem CID167313876
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Nameethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate
SMILESCCCNC(=O)CNC(=O)CNC(=O)OCC
InChIInChI=1S/C10H19N3O4/c1-3-5-11-8(14)6-12-9(15)7-13-10(16)17-4-2/h3-7H2,1-2H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyVERNRXRQTZXQMH-UHFFFAOYSA-N
XLogP-0.63
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate (CID 167313876) is ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate is CCCNC(=O)CNC(=O)CNC(=O)OCC.
What is the InChIKey of ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate?
The InChIKey is VERNRXRQTZXQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-5-11-8(14)6-12-9(15)7-13-10(16)17-4-2/h3-7H2,1-2H3,(H,11,14)(H,12,15)(H,13,16).
What are the key properties of ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate?
ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate has a molecular weight of 245.28 g/mol, XLogP of -0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate is sourced from PubChem (CID 167313876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).