2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide

C8H16N2O2 — CID 62338375

IUPAC2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COCCNC
InChIInChI=1S/C8H16N2O2/c1-3-4-10-8(11)7-12-6-5-9-2/h3,9H,1,4-7H2,2H3,(H,10,11)
InChIKeyDDNJAXWPGAVAJX-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.48
Rot. Bonds7

About 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide

2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide (PubChem CID 62338375) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide
PubChem CID62338375
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COCCNC
InChIInChI=1S/C8H16N2O2/c1-3-4-10-8(11)7-12-6-5-9-2/h3,9H,1,4-7H2,2H3,(H,10,11)
InChIKeyDDNJAXWPGAVAJX-UHFFFAOYSA-N
XLogP-0.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide (CID 62338375) is 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COCCNC.
What is the InChIKey of 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide?
The InChIKey is DDNJAXWPGAVAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-4-10-8(11)7-12-6-5-9-2/h3,9H,1,4-7H2,2H3,(H,10,11).
What are the key properties of 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide?
2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide has a molecular weight of 172.23 g/mol, XLogP of -0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 62338375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).