butyl N-[2-(2-oxoethoxy)ethyl]carbamate

C9H17NO4 — CID 142734948

IUPACbutyl N-[2-(2-oxoethoxy)ethyl]carbamate
SMILESCCCCOC(=O)NCCOCC=O
InChIInChI=1S/C9H17NO4/c1-2-3-6-14-9(12)10-4-7-13-8-5-11/h5H,2-4,6-8H2,1H3,(H,10,12)
InChIKeyXCFUEIGHQOZYDH-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.73
Rot. Bonds8

About butyl N-[2-(2-oxoethoxy)ethyl]carbamate

butyl N-[2-(2-oxoethoxy)ethyl]carbamate (PubChem CID 142734948) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is butyl N-[2-(2-oxoethoxy)ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-(2-oxoethoxy)ethyl]carbamate
PubChem CID142734948
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namebutyl N-[2-(2-oxoethoxy)ethyl]carbamate
SMILESCCCCOC(=O)NCCOCC=O
InChIInChI=1S/C9H17NO4/c1-2-3-6-14-9(12)10-4-7-13-8-5-11/h5H,2-4,6-8H2,1H3,(H,10,12)
InChIKeyXCFUEIGHQOZYDH-UHFFFAOYSA-N
XLogP0.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[2-(2-oxoethoxy)ethyl]carbamate?
The IUPAC name of butyl N-[2-(2-oxoethoxy)ethyl]carbamate (CID 142734948) is butyl N-[2-(2-oxoethoxy)ethyl]carbamate.
What is the SMILES notation for butyl N-[2-(2-oxoethoxy)ethyl]carbamate?
The canonical SMILES for butyl N-[2-(2-oxoethoxy)ethyl]carbamate is CCCCOC(=O)NCCOCC=O.
What is the InChIKey of butyl N-[2-(2-oxoethoxy)ethyl]carbamate?
The InChIKey is XCFUEIGHQOZYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-3-6-14-9(12)10-4-7-13-8-5-11/h5H,2-4,6-8H2,1H3,(H,10,12).
What are the key properties of butyl N-[2-(2-oxoethoxy)ethyl]carbamate?
butyl N-[2-(2-oxoethoxy)ethyl]carbamate has a molecular weight of 203.24 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(2-oxoethoxy)ethyl]carbamate is sourced from PubChem (CID 142734948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).