ethyl N-(3-carbamoyloxypropyl)carbamate

C7H14N2O4 — CID 21866

IUPACethyl N-(3-carbamoyloxypropyl)carbamate
SMILESCCOC(=O)NCCCOC(N)=O
InChIInChI=1S/C7H14N2O4/c1-2-12-7(11)9-4-3-5-13-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKeyCWQLEXDJESBAJM-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.22
Rot. Bonds5

About ethyl N-(3-carbamoyloxypropyl)carbamate

ethyl N-(3-carbamoyloxypropyl)carbamate (PubChem CID 21866) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl N-(3-carbamoyloxypropyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-carbamoyloxypropyl)carbamate
PubChem CID21866
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Nameethyl N-(3-carbamoyloxypropyl)carbamate
SMILESCCOC(=O)NCCCOC(N)=O
InChIInChI=1S/C7H14N2O4/c1-2-12-7(11)9-4-3-5-13-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKeyCWQLEXDJESBAJM-UHFFFAOYSA-N
XLogP0.22
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 ethyl N-(3-carbamoyloxypropyl)carbamate?
The IUPAC name of ethyl N-(3-carbamoyloxypropyl)carbamate (CID 21866) is ethyl N-(3-carbamoyloxypropyl)carbamate.
What is the SMILES notation for ethyl N-(3-carbamoyloxypropyl)carbamate?
The canonical SMILES for ethyl N-(3-carbamoyloxypropyl)carbamate is CCOC(=O)NCCCOC(N)=O.
What is the InChIKey of ethyl N-(3-carbamoyloxypropyl)carbamate?
The InChIKey is CWQLEXDJESBAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-12-7(11)9-4-3-5-13-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of ethyl N-(3-carbamoyloxypropyl)carbamate?
ethyl N-(3-carbamoyloxypropyl)carbamate has a molecular weight of 190.20 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-carbamoyloxypropyl)carbamate is sourced from PubChem (CID 21866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).