ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate

C11H21NO4 — CID 15069988

IUPACethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCC)C(C)C(OC)OC
InChIInChI=1S/C11H21NO4/c1-6-8-12(11(13)16-7-2)9(3)10(14-4)15-5/h6,9-10H,1,7-8H2,2-5H3
InChIKeyIATVKKIGPKSWBI-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.64
Rot. Bonds7

About ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate

ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate (PubChem CID 15069988) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate
PubChem CID15069988
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCC)C(C)C(OC)OC
InChIInChI=1S/C11H21NO4/c1-6-8-12(11(13)16-7-2)9(3)10(14-4)15-5/h6,9-10H,1,7-8H2,2-5H3
InChIKeyIATVKKIGPKSWBI-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-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate (CID 15069988) is ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate is C=CCN(C(=O)OCC)C(C)C(OC)OC.
What is the InChIKey of ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate?
The InChIKey is IATVKKIGPKSWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-8-12(11(13)16-7-2)9(3)10(14-4)15-5/h6,9-10H,1,7-8H2,2-5H3.
What are the key properties of ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate?
ethyl N-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate 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-(1,1-dimethoxypropan-2-yl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 15069988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).