ethyl N,N-bis(oxolan-2-ylmethyl)carbamate

C13H23NO4 — CID 61073958

IUPACethyl N,N-bis(oxolan-2-ylmethyl)carbamate
SMILESCCOC(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H23NO4/c1-2-16-13(15)14(9-11-5-3-7-17-11)10-12-6-4-8-18-12/h11-12H,2-10H2,1H3
InChIKeyJSWDTIRAZNDONV-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.80
Rot. Bonds5

About ethyl N,N-bis(oxolan-2-ylmethyl)carbamate

ethyl N,N-bis(oxolan-2-ylmethyl)carbamate (PubChem CID 61073958) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl N,N-bis(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N,N-bis(oxolan-2-ylmethyl)carbamate
PubChem CID61073958
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl N,N-bis(oxolan-2-ylmethyl)carbamate
SMILESCCOC(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H23NO4/c1-2-16-13(15)14(9-11-5-3-7-17-11)10-12-6-4-8-18-12/h11-12H,2-10H2,1H3
InChIKeyJSWDTIRAZNDONV-UHFFFAOYSA-N
XLogP1.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N,N-bis(oxolan-2-ylmethyl)carbamate?
The IUPAC name of ethyl N,N-bis(oxolan-2-ylmethyl)carbamate (CID 61073958) is ethyl N,N-bis(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for ethyl N,N-bis(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for ethyl N,N-bis(oxolan-2-ylmethyl)carbamate is CCOC(=O)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of ethyl N,N-bis(oxolan-2-ylmethyl)carbamate?
The InChIKey is JSWDTIRAZNDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-16-13(15)14(9-11-5-3-7-17-11)10-12-6-4-8-18-12/h11-12H,2-10H2,1H3.
What are the key properties of ethyl N,N-bis(oxolan-2-ylmethyl)carbamate?
ethyl N,N-bis(oxolan-2-ylmethyl)carbamate has a molecular weight of 257.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-bis(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 61073958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).