N-(1,3-dimethoxybutyl)acetamide

C8H17NO3 — CID 22123473

IUPACN-(1,3-dimethoxybutyl)acetamide
SMILESCOC(C)CC(NC(C)=O)OC
InChIInChI=1S/C8H17NO3/c1-6(11-3)5-8(12-4)9-7(2)10/h6,8H,5H2,1-4H3,(H,9,10)
InChIKeyCBDNDJXWGVSTBX-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.52
Rot. Bonds5

About N-(1,3-dimethoxybutyl)acetamide

N-(1,3-dimethoxybutyl)acetamide (PubChem CID 22123473) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(1,3-dimethoxybutyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethoxybutyl)acetamide
PubChem CID22123473
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN-(1,3-dimethoxybutyl)acetamide
SMILESCOC(C)CC(NC(C)=O)OC
InChIInChI=1S/C8H17NO3/c1-6(11-3)5-8(12-4)9-7(2)10/h6,8H,5H2,1-4H3,(H,9,10)
InChIKeyCBDNDJXWGVSTBX-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethoxybutyl)acetamide?
The IUPAC name of N-(1,3-dimethoxybutyl)acetamide (CID 22123473) is N-(1,3-dimethoxybutyl)acetamide.
What is the SMILES notation for N-(1,3-dimethoxybutyl)acetamide?
The canonical SMILES for N-(1,3-dimethoxybutyl)acetamide is COC(C)CC(NC(C)=O)OC.
What is the InChIKey of N-(1,3-dimethoxybutyl)acetamide?
The InChIKey is CBDNDJXWGVSTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(11-3)5-8(12-4)9-7(2)10/h6,8H,5H2,1-4H3,(H,9,10).
What are the key properties of N-(1,3-dimethoxybutyl)acetamide?
N-(1,3-dimethoxybutyl)acetamide has a molecular weight of 175.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethoxybutyl)acetamide is sourced from PubChem (CID 22123473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).