3-methoxy-N,N-dimethylpropanamide;molecular hydrogen

C6H17NO2 — CID 159894499

IUPAC3-methoxy-N,N-dimethylpropanamide;molecular hydrogen
SMILESCOCCC(=O)N(C)C.[H][H].[H][H]
InChIInChI=1S/C6H13NO2.2H2/c1-7(2)6(8)4-5-9-3;;/h4-5H2,1-3H3;2*1H
InChIKeyNVEBRLSHOLHJBP-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.60
Rot. Bonds3

About 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen

3-methoxy-N,N-dimethylpropanamide;molecular hydrogen (PubChem CID 159894499) has the molecular formula C6H17NO2 and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen.

Molecular Properties

Compound Name3-methoxy-N,N-dimethylpropanamide;molecular hydrogen
PubChem CID159894499
Molecular FormulaC6H17NO2
Molecular Weight135.21 g/mol
Exact Mass135.13
IUPAC Name3-methoxy-N,N-dimethylpropanamide;molecular hydrogen
SMILESCOCCC(=O)N(C)C.[H][H].[H][H]
InChIInChI=1S/C6H13NO2.2H2/c1-7(2)6(8)4-5-9-3;;/h4-5H2,1-3H3;2*1H
InChIKeyNVEBRLSHOLHJBP-UHFFFAOYSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen?
The IUPAC name of 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen (CID 159894499) is 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen.
What is the SMILES notation for 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen?
The canonical SMILES for 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen is COCCC(=O)N(C)C.[H][H].[H][H].
What is the InChIKey of 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen?
The InChIKey is NVEBRLSHOLHJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.2H2/c1-7(2)6(8)4-5-9-3;;/h4-5H2,1-3H3;2*1H.
What are the key properties of 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen?
3-methoxy-N,N-dimethylpropanamide;molecular hydrogen has a molecular weight of 135.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethylpropanamide;molecular hydrogen is sourced from PubChem (CID 159894499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).