ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate

C10H18N2O3 — CID 113052304

IUPACethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate
SMILESC=CCN(CCNC(=O)OCC)C(C)=O
InChIInChI=1S/C10H18N2O3/c1-4-7-12(9(3)13)8-6-11-10(14)15-5-2/h4H,1,5-8H2,2-3H3,(H,11,14)
InChIKeyXMEQSYDQTFFLEG-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.77
Rot. Bonds6

About ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate

ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate (PubChem CID 113052304) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate
PubChem CID113052304
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate
SMILESC=CCN(CCNC(=O)OCC)C(C)=O
InChIInChI=1S/C10H18N2O3/c1-4-7-12(9(3)13)8-6-11-10(14)15-5-2/h4H,1,5-8H2,2-3H3,(H,11,14)
InChIKeyXMEQSYDQTFFLEG-UHFFFAOYSA-N
XLogP0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate (CID 113052304) is ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate is C=CCN(CCNC(=O)OCC)C(C)=O.
What is the InChIKey of ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate?
The InChIKey is XMEQSYDQTFFLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-7-12(9(3)13)8-6-11-10(14)15-5-2/h4H,1,5-8H2,2-3H3,(H,11,14).
What are the key properties of ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate?
ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate is sourced from PubChem (CID 113052304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).