5-amino-N-(2,2-diethoxyethyl)pentanamide

C11H24N2O3 — CID 79547358

IUPAC5-amino-N-(2,2-diethoxyethyl)pentanamide
SMILESCCOC(CNC(=O)CCCCN)OCC
InChIInChI=1S/C11H24N2O3/c1-3-15-11(16-4-2)9-13-10(14)7-5-6-8-12/h11H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyIXHIFOIBOGIRTJ-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.63
Rot. Bonds10

About 5-amino-N-(2,2-diethoxyethyl)pentanamide

5-amino-N-(2,2-diethoxyethyl)pentanamide (PubChem CID 79547358) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-amino-N-(2,2-diethoxyethyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(2,2-diethoxyethyl)pentanamide
PubChem CID79547358
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name5-amino-N-(2,2-diethoxyethyl)pentanamide
SMILESCCOC(CNC(=O)CCCCN)OCC
InChIInChI=1S/C11H24N2O3/c1-3-15-11(16-4-2)9-13-10(14)7-5-6-8-12/h11H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyIXHIFOIBOGIRTJ-UHFFFAOYSA-N
XLogP0.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)hexanamide
CID 79547284
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
N-(2,2-diethoxyethyl)butanamide
CID 79548415
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
7-amino-N-(2-methylbutyl)heptanamide
CID 62693522
N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
CID 79547706
7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
CID 119784017
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
(2,3,4,5,6-pentafluorophenyl) 5-(2,2-diethoxyethylamino)-5-oxopentanoate
CID 14938940
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-diethoxyethyl)pentanamide?
The IUPAC name of 5-amino-N-(2,2-diethoxyethyl)pentanamide (CID 79547358) is 5-amino-N-(2,2-diethoxyethyl)pentanamide.
What is the SMILES notation for 5-amino-N-(2,2-diethoxyethyl)pentanamide?
The canonical SMILES for 5-amino-N-(2,2-diethoxyethyl)pentanamide is CCOC(CNC(=O)CCCCN)OCC.
What is the InChIKey of 5-amino-N-(2,2-diethoxyethyl)pentanamide?
The InChIKey is IXHIFOIBOGIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-3-15-11(16-4-2)9-13-10(14)7-5-6-8-12/h11H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of 5-amino-N-(2,2-diethoxyethyl)pentanamide?
5-amino-N-(2,2-diethoxyethyl)pentanamide has a molecular weight of 232.32 g/mol, XLogP of 0.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-diethoxyethyl)pentanamide is sourced from PubChem (CID 79547358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).