2-ethoxy-2-methyl-N-prop-2-enylpropanamide

C9H17NO2 — CID 178010544

IUPAC2-ethoxy-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)OCC
InChIInChI=1S/C9H17NO2/c1-5-7-10-8(11)9(3,4)12-6-2/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyURHHJQWEXUJWBD-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About 2-ethoxy-2-methyl-N-prop-2-enylpropanamide

2-ethoxy-2-methyl-N-prop-2-enylpropanamide (PubChem CID 178010544) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-prop-2-enylpropanamide
PubChem CID178010544
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-ethoxy-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)OCC
InChIInChI=1S/C9H17NO2/c1-5-7-10-8(11)9(3,4)12-6-2/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyURHHJQWEXUJWBD-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-prop-2-enyl-2-(1,1,2-trifluoroethoxy)-2-(trifluoromethyl)propanamide
CID 20593125
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 86985433
N-Allyl-2-methoxy-acetamide
CID 11355489
N-but-3-enyl-2-propoxyacetamide
CID 17780693
2-ethoxy-N-prop-2-enylacetamide
CID 17780821
2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
CID 60007900
2,6-dimethyl-N-prop-2-enylmorpholine-2-carboxamide
CID 70394900
2-ethoxy-N-ethyl-2-methylpropanamide
CID 87729611
N-but-3-enyl-2-(3-methylbutoxy)propanamide
CID 88950956
N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide
CID 89044299
2-but-3-enoxy-N-ethylpropanamide
CID 89129102
2-methoxy-N-prop-2-enylpropanamide
CID 100983783

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-ethoxy-2-methyl-N-prop-2-enylpropanamide (CID 178010544) is 2-ethoxy-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-ethoxy-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-ethoxy-2-methyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is URHHJQWEXUJWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-7-10-8(11)9(3,4)12-6-2/h5H,1,6-7H2,2-4H3,(H,10,11).
What are the key properties of 2-ethoxy-2-methyl-N-prop-2-enylpropanamide?
2-ethoxy-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 178010544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).