2-(dimethylamino)-N-(3-methoxypropyl)acetamide

C8H18N2O2 — CID 54844116

IUPAC2-(dimethylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)C
InChIInChI=1S/C8H18N2O2/c1-10(2)7-8(11)9-5-4-6-12-3/h4-7H2,1-3H3,(H,9,11)
InChIKeyJELLCIOKZIQWBG-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.30
Rot. Bonds6

About 2-(dimethylamino)-N-(3-methoxypropyl)acetamide

2-(dimethylamino)-N-(3-methoxypropyl)acetamide (PubChem CID 54844116) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-methoxypropyl)acetamide
PubChem CID54844116
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-(dimethylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)C
InChIInChI=1S/C8H18N2O2/c1-10(2)7-8(11)9-5-4-6-12-3/h4-7H2,1-3H3,(H,9,11)
InChIKeyJELLCIOKZIQWBG-UHFFFAOYSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.30
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-(dimethylamino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(3-methoxypropyl)acetamide (CID 54844116) is 2-(dimethylamino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(3-methoxypropyl)acetamide?
The InChIKey is JELLCIOKZIQWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-10(2)7-8(11)9-5-4-6-12-3/h4-7H2,1-3H3,(H,9,11).
What are the key properties of 2-(dimethylamino)-N-(3-methoxypropyl)acetamide?
2-(dimethylamino)-N-(3-methoxypropyl)acetamide has a molecular weight of 174.24 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 54844116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).