2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide

C12H22N2O2 — CID 43430646

IUPAC2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)C1CCCO1
InChIInChI=1S/C12H22N2O2/c1-4-7-13-12(15)10(3)14-9(2)11-6-5-8-16-11/h4,9-11,14H,1,5-8H2,2-3H3,(H,13,15)
InChIKeyNBVCAOUGCXJGEQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.83
Rot. Bonds6

About 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide

2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide (PubChem CID 43430646) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide
PubChem CID43430646
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)C1CCCO1
InChIInChI=1S/C12H22N2O2/c1-4-7-13-12(15)10(3)14-9(2)11-6-5-8-16-11/h4,9-11,14H,1,5-8H2,2-3H3,(H,13,15)
InChIKeyNBVCAOUGCXJGEQ-UHFFFAOYSA-N
XLogP0.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
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 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide (CID 43430646) is 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC(C)C1CCCO1.
What is the InChIKey of 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide?
The InChIKey is NBVCAOUGCXJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-7-13-12(15)10(3)14-9(2)11-6-5-8-16-11/h4,9-11,14H,1,5-8H2,2-3H3,(H,13,15).
What are the key properties of 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide?
2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 43430646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).