methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate

C8H16N2O4 — CID 141246578

IUPACmethyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate
SMILESCCN(CCNC(=O)OC)C(=O)OC
InChIInChI=1S/C8H16N2O4/c1-4-10(8(12)14-3)6-5-9-7(11)13-2/h4-6H2,1-3H3,(H,9,11)
InChIKeyIPUQPNJYXIOMSQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.43
Rot. Bonds4

About methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate

methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate (PubChem CID 141246578) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate
PubChem CID141246578
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namemethyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate
SMILESCCN(CCNC(=O)OC)C(=O)OC
InChIInChI=1S/C8H16N2O4/c1-4-10(8(12)14-3)6-5-9-7(11)13-2/h4-6H2,1-3H3,(H,9,11)
InChIKeyIPUQPNJYXIOMSQ-UHFFFAOYSA-N
XLogP0.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate?
The IUPAC name of methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate (CID 141246578) is methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate.
What is the SMILES notation for methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate?
The canonical SMILES for methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate is CCN(CCNC(=O)OC)C(=O)OC.
What is the InChIKey of methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate?
The InChIKey is IPUQPNJYXIOMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-4-10(8(12)14-3)6-5-9-7(11)13-2/h4-6H2,1-3H3,(H,9,11).
What are the key properties of methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate?
methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate has a molecular weight of 204.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate is sourced from PubChem (CID 141246578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).