ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate

C11H21NO4 — CID 15069986

IUPACethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CN(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C11H21NO4/c1-6-16-11(13)12(7-9(2)3)8-10(14-4)15-5/h10H,2,6-8H2,1,3-5H3
InChIKeyMVNQINIRVJCBTQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.64
Rot. Bonds7

About ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate

ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate (PubChem CID 15069986) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate
PubChem CID15069986
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CN(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C11H21NO4/c1-6-16-11(13)12(7-9(2)3)8-10(14-4)15-5/h10H,2,6-8H2,1,3-5H3
InChIKeyMVNQINIRVJCBTQ-UHFFFAOYSA-N
XLogP1.64
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate?
The IUPAC name of ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate (CID 15069986) is ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate.
What is the SMILES notation for ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate?
The canonical SMILES for ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate is C=C(C)CN(CC(OC)OC)C(=O)OCC.
What is the InChIKey of ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate?
The InChIKey is MVNQINIRVJCBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-16-11(13)12(7-9(2)3)8-10(14-4)15-5/h10H,2,6-8H2,1,3-5H3.
What are the key properties of ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate?
ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2-dimethoxyethyl)-N-(2-methylprop-2-enyl)carbamate is sourced from PubChem (CID 15069986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).