N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide

C9H17NO2 — CID 165072070

IUPACN-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide
SMILESC=C(CNC(=O)C(C)(C)C)OC
InChIInChI=1S/C9H17NO2/c1-7(12-5)6-10-8(11)9(2,3)4/h1,6H2,2-5H3,(H,10,11)
InChIKeyNUYBPXUIKSLYLD-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.31
Rot. Bonds3

About N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide

N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide (PubChem CID 165072070) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide
PubChem CID165072070
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide
SMILESC=C(CNC(=O)C(C)(C)C)OC
InChIInChI=1S/C9H17NO2/c1-7(12-5)6-10-8(11)9(2,3)4/h1,6H2,2-5H3,(H,10,11)
InChIKeyNUYBPXUIKSLYLD-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide (CID 165072070) is N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide is C=C(CNC(=O)C(C)(C)C)OC.
What is the InChIKey of N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide?
The InChIKey is NUYBPXUIKSLYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(12-5)6-10-8(11)9(2,3)4/h1,6H2,2-5H3,(H,10,11).
What are the key properties of N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide?
N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 165072070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).