2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide

C11H24N2O2 — CID 71939451

IUPAC2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
SMILESCOC(C)C(=O)NCCCN(C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)13(4)8-6-7-12-11(14)10(3)15-5/h9-10H,6-8H2,1-5H3,(H,12,14)
InChIKeyQWMYHGXVJDQPDJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.87
Rot. Bonds7

About 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide

2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide (PubChem CID 71939451) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
PubChem CID71939451
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
SMILESCOC(C)C(=O)NCCCN(C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)13(4)8-6-7-12-11(14)10(3)15-5/h9-10H,6-8H2,1-5H3,(H,12,14)
InChIKeyQWMYHGXVJDQPDJ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The IUPAC name of 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide (CID 71939451) is 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The canonical SMILES for 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide is COC(C)C(=O)NCCCN(C)C(C)C.
What is the InChIKey of 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The InChIKey is QWMYHGXVJDQPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(2)13(4)8-6-7-12-11(14)10(3)15-5/h9-10H,6-8H2,1-5H3,(H,12,14).
What are the key properties of 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide has a molecular weight of 216.32 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide is sourced from PubChem (CID 71939451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).