N-(2,2-diethoxyethyl)hexanamide

C12H25NO3 — CID 79547284

IUPACN-(2,2-diethoxyethyl)hexanamide
SMILESCCCCCC(=O)NCC(OCC)OCC
InChIInChI=1S/C12H25NO3/c1-4-7-8-9-11(14)13-10-12(15-5-2)16-6-3/h12H,4-10H2,1-3H3,(H,13,14)
InChIKeyDGKUGRUOPPZWGA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.08
Rot. Bonds10

About N-(2,2-diethoxyethyl)hexanamide

N-(2,2-diethoxyethyl)hexanamide (PubChem CID 79547284) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)hexanamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)hexanamide
PubChem CID79547284
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-(2,2-diethoxyethyl)hexanamide
SMILESCCCCCC(=O)NCC(OCC)OCC
InChIInChI=1S/C12H25NO3/c1-4-7-8-9-11(14)13-10-12(15-5-2)16-6-3/h12H,4-10H2,1-3H3,(H,13,14)
InChIKeyDGKUGRUOPPZWGA-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
N-(2,2-diethoxyethyl)butanamide
CID 79548415
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
N-(2-ethoxypropyl)dodecanamide
CID 173205784
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(3-hydroxy-2-pentoxypropyl)hexanamide
CID 11832137
(2,3,4,5,6-pentafluorophenyl) 5-(2,2-diethoxyethylamino)-5-oxopentanoate
CID 14938940
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
N-(2-heptoxy-3-hydroxypropyl)tetradecanamide
CID 10971372
N-(3-hydroxy-2-pentoxypropyl)dodecanamide
CID 10969961

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)hexanamide?
The IUPAC name of N-(2,2-diethoxyethyl)hexanamide (CID 79547284) is N-(2,2-diethoxyethyl)hexanamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)hexanamide?
The canonical SMILES for N-(2,2-diethoxyethyl)hexanamide is CCCCCC(=O)NCC(OCC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)hexanamide?
The InChIKey is DGKUGRUOPPZWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-7-8-9-11(14)13-10-12(15-5-2)16-6-3/h12H,4-10H2,1-3H3,(H,13,14).
What are the key properties of N-(2,2-diethoxyethyl)hexanamide?
N-(2,2-diethoxyethyl)hexanamide has a molecular weight of 231.34 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)hexanamide is sourced from PubChem (CID 79547284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).