2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide

C9H17NO2 — CID 104952948

IUPAC2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C(C)(C)OC
InChIInChI=1S/C9H17NO2/c1-6-7-10(4)8(11)9(2,3)12-5/h6H,1,7H2,2-5H3
InChIKeyYIODTBQMROZTSA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.06
Rot. Bonds4

About 2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide

2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide (PubChem CID 104952948) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide
PubChem CID104952948
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C(C)(C)OC
InChIInChI=1S/C9H17NO2/c1-6-7-10(4)8(11)9(2,3)12-5/h6H,1,7H2,2-5H3
InChIKeyYIODTBQMROZTSA-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide (CID 104952948) is 2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide is C=CCN(C)C(=O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide?
The InChIKey is YIODTBQMROZTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-7-10(4)8(11)9(2,3)12-5/h6H,1,7H2,2-5H3.
What are the key properties of 2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide?
2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 104952948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).