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

C9H18N2O3 — CID 22084539

IUPACpropyl N-[2-oxo-2-(propylamino)ethyl]carbamate
SMILESCCCNC(=O)CNC(=O)OCCC
InChIInChI=1S/C9H18N2O3/c1-3-5-10-8(12)7-11-9(13)14-6-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyDOADVAZPQNUTSD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.65
Rot. Bonds6

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

propyl N-[2-oxo-2-(propylamino)ethyl]carbamate (PubChem CID 22084539) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is propyl N-[2-oxo-2-(propylamino)ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-oxo-2-(propylamino)ethyl]carbamate
PubChem CID22084539
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namepropyl N-[2-oxo-2-(propylamino)ethyl]carbamate
SMILESCCCNC(=O)CNC(=O)OCCC
InChIInChI=1S/C9H18N2O3/c1-3-5-10-8(12)7-11-9(13)14-6-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyDOADVAZPQNUTSD-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl N-[2-oxo-2-(propylamino)ethyl]carbamate?
The IUPAC name of propyl N-[2-oxo-2-(propylamino)ethyl]carbamate (CID 22084539) is propyl N-[2-oxo-2-(propylamino)ethyl]carbamate.
What is the SMILES notation for propyl N-[2-oxo-2-(propylamino)ethyl]carbamate?
The canonical SMILES for propyl N-[2-oxo-2-(propylamino)ethyl]carbamate is CCCNC(=O)CNC(=O)OCCC.
What is the InChIKey of propyl N-[2-oxo-2-(propylamino)ethyl]carbamate?
The InChIKey is DOADVAZPQNUTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-5-10-8(12)7-11-9(13)14-6-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of propyl N-[2-oxo-2-(propylamino)ethyl]carbamate?
propyl N-[2-oxo-2-(propylamino)ethyl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-oxo-2-(propylamino)ethyl]carbamate is sourced from PubChem (CID 22084539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).