N,3-dimethoxy-N-methylpropanamide

C6H13NO3 — CID 62947925

IUPACN,3-dimethoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)OC
InChIInChI=1S/C6H13NO3/c1-7(10-3)6(8)4-5-9-2/h4-5H2,1-3H3
InChIKeyRCEHHQRDEOJDCN-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.04
Rot. Bonds4

About N,3-dimethoxy-N-methylpropanamide

N,3-dimethoxy-N-methylpropanamide (PubChem CID 62947925) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N,3-dimethoxy-N-methylpropanamide.

Molecular Properties

Compound NameN,3-dimethoxy-N-methylpropanamide
PubChem CID62947925
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN,3-dimethoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)OC
InChIInChI=1S/C6H13NO3/c1-7(10-3)6(8)4-5-9-2/h4-5H2,1-3H3
InChIKeyRCEHHQRDEOJDCN-UHFFFAOYSA-N
XLogP0.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethoxy-N-methylpropanamide?
The IUPAC name of N,3-dimethoxy-N-methylpropanamide (CID 62947925) is N,3-dimethoxy-N-methylpropanamide.
What is the SMILES notation for N,3-dimethoxy-N-methylpropanamide?
The canonical SMILES for N,3-dimethoxy-N-methylpropanamide is COCCC(=O)N(C)OC.
What is the InChIKey of N,3-dimethoxy-N-methylpropanamide?
The InChIKey is RCEHHQRDEOJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7(10-3)6(8)4-5-9-2/h4-5H2,1-3H3.
What are the key properties of N,3-dimethoxy-N-methylpropanamide?
N,3-dimethoxy-N-methylpropanamide has a molecular weight of 147.17 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethoxy-N-methylpropanamide is sourced from PubChem (CID 62947925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).