propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate

C12H22N2O6 — CID 163601154

IUPACpropyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
SMILESCCCOC(=O)NC(COCCO)C(=O)NCC(C)=O
InChIInChI=1S/C12H22N2O6/c1-3-5-20-12(18)14-10(8-19-6-4-15)11(17)13-7-9(2)16/h10,15H,3-8H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyGXTKFSYUPBKHDV-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.79
Rot. Bonds10

About propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate

propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate (PubChem CID 163601154) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
PubChem CID163601154
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Namepropyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
SMILESCCCOC(=O)NC(COCCO)C(=O)NCC(C)=O
InChIInChI=1S/C12H22N2O6/c1-3-5-20-12(18)14-10(8-19-6-4-15)11(17)13-7-9(2)16/h10,15H,3-8H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyGXTKFSYUPBKHDV-UHFFFAOYSA-N
XLogP-0.79
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate?
The IUPAC name of propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate (CID 163601154) is propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate.
What is the SMILES notation for propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate?
The canonical SMILES for propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate is CCCOC(=O)NC(COCCO)C(=O)NCC(C)=O.
What is the InChIKey of propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate?
The InChIKey is GXTKFSYUPBKHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6/c1-3-5-20-12(18)14-10(8-19-6-4-15)11(17)13-7-9(2)16/h10,15H,3-8H2,1-2H3,(H,13,17)(H,14,18).
What are the key properties of propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate?
propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate has a molecular weight of 290.32 g/mol, XLogP of -0.79, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate is sourced from PubChem (CID 163601154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).