N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide

C11H20N2O2 — CID 79286308

IUPACN-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)C1CCCO1
InChIInChI=1S/C11H20N2O2/c1-3-6-12-8-11(14)13-9(2)10-5-4-7-15-10/h3,9-10,12H,1,4-8H2,2H3,(H,13,14)
InChIKeyOTWIUIVWDUIHBH-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds6

About N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide

N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79286308) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID79286308
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)C1CCCO1
InChIInChI=1S/C11H20N2O2/c1-3-6-12-8-11(14)13-9(2)10-5-4-7-15-10/h3,9-10,12H,1,4-8H2,2H3,(H,13,14)
InChIKeyOTWIUIVWDUIHBH-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.45
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 N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide (CID 79286308) is N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(C)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is OTWIUIVWDUIHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-6-12-8-11(14)13-9(2)10-5-4-7-15-10/h3,9-10,12H,1,4-8H2,2H3,(H,13,14).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide?
N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79286308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).