N,N-dibutyl-2-propoxyacetamide

C13H27NO2 — CID 48656867

IUPACN,N-dibutyl-2-propoxyacetamide
SMILESCCCCN(CCCC)C(=O)COCCC
InChIInChI=1S/C13H27NO2/c1-4-7-9-14(10-8-5-2)13(15)12-16-11-6-3/h4-12H2,1-3H3
InChIKeyZLYNJMZDGBYAAN-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.84
Rot. Bonds10

About N,N-dibutyl-2-propoxyacetamide

N,N-dibutyl-2-propoxyacetamide (PubChem CID 48656867) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N,N-dibutyl-2-propoxyacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-propoxyacetamide
PubChem CID48656867
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN,N-dibutyl-2-propoxyacetamide
SMILESCCCCN(CCCC)C(=O)COCCC
InChIInChI=1S/C13H27NO2/c1-4-7-9-14(10-8-5-2)13(15)12-16-11-6-3/h4-12H2,1-3H3
InChIKeyZLYNJMZDGBYAAN-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 113227401
N,N-dibutyl-2-[2-[ethyl(methyl)amino]ethoxy]acetamide
CID 175987173
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
2-[2-(dimethylamino)ethoxy]-N,N-dipentylacetamide
CID 175987160
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-di(tetradecyl)acetamide
CID 163192847
N-butyl-2-ethoxy-N-ethylacetamide
CID 4277867
2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide
CID 63391075
2-[2-[ethyl(methyl)amino]ethoxy]-N,N-dihexylacetamide
CID 175987181
2-methoxy-N,N-dipentylacetamide
CID 60776145

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-propoxyacetamide?
The IUPAC name of N,N-dibutyl-2-propoxyacetamide (CID 48656867) is N,N-dibutyl-2-propoxyacetamide.
What is the SMILES notation for N,N-dibutyl-2-propoxyacetamide?
The canonical SMILES for N,N-dibutyl-2-propoxyacetamide is CCCCN(CCCC)C(=O)COCCC.
What is the InChIKey of N,N-dibutyl-2-propoxyacetamide?
The InChIKey is ZLYNJMZDGBYAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-7-9-14(10-8-5-2)13(15)12-16-11-6-3/h4-12H2,1-3H3.
What are the key properties of N,N-dibutyl-2-propoxyacetamide?
N,N-dibutyl-2-propoxyacetamide has a molecular weight of 229.36 g/mol, XLogP of 2.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-propoxyacetamide is sourced from PubChem (CID 48656867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).