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

C9H18N2O2 — CID 62336988

IUPAC2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)OCCNC
InChIInChI=1S/C9H18N2O2/c1-4-5-11-9(12)8(2)13-7-6-10-3/h4,8,10H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyVKBFKBWAYNCUNL-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.09
Rot. Bonds7

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

2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide (PubChem CID 62336988) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide
PubChem CID62336988
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)OCCNC
InChIInChI=1S/C9H18N2O2/c1-4-5-11-9(12)8(2)13-7-6-10-3/h4,8,10H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyVKBFKBWAYNCUNL-UHFFFAOYSA-N
XLogP-0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.09
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-enylpropanamide?
The IUPAC name of 2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide (CID 62336988) is 2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)OCCNC.
What is the InChIKey of 2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide?
The InChIKey is VKBFKBWAYNCUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-5-11-9(12)8(2)13-7-6-10-3/h4,8,10H,1,5-7H2,2-3H3,(H,11,12).
What are the key properties of 2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide?
2-[2-(methylamino)ethoxy]-N-prop-2-enylpropanamide has a molecular weight of 186.25 g/mol, XLogP of -0.09, 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-enylpropanamide is sourced from PubChem (CID 62336988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).