5-(3,3-diethoxypropylamino)pentanamide

C12H26N2O3 — CID 114162185

IUPAC5-(3,3-diethoxypropylamino)pentanamide
SMILESCCOC(CCNCCCCC(N)=O)OCC
InChIInChI=1S/C12H26N2O3/c1-3-16-12(17-4-2)8-10-14-9-6-5-7-11(13)15/h12,14H,3-10H2,1-2H3,(H2,13,15)
InChIKeyOQHWKNZMFJIKAY-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.02
Rot. Bonds12

About 5-(3,3-diethoxypropylamino)pentanamide

5-(3,3-diethoxypropylamino)pentanamide (PubChem CID 114162185) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-(3,3-diethoxypropylamino)pentanamide.

Molecular Properties

Compound Name5-(3,3-diethoxypropylamino)pentanamide
PubChem CID114162185
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name5-(3,3-diethoxypropylamino)pentanamide
SMILESCCOC(CCNCCCCC(N)=O)OCC
InChIInChI=1S/C12H26N2O3/c1-3-16-12(17-4-2)8-10-14-9-6-5-7-11(13)15/h12,14H,3-10H2,1-2H3,(H2,13,15)
InChIKeyOQHWKNZMFJIKAY-UHFFFAOYSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.02
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(3,3-diethoxypropyl)butane-1,4-diamine;bis(nitric acid)
CID 71361975
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
N-(3,3-diethoxypropyl)decan-1-amine
CID 81093302
N-(3,3-diethoxypropyl)-7-methyloctan-1-amine
CID 107814867
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223
12-(hexylamino)dodecanamide
CID 174861179
6-(decylamino)hexanamide
CID 13292350
N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
CID 113327405
ethyl 2-(4,4-diethoxybutylamino)acetate
CID 119084301
2-(3,3-diethoxypropylamino)propanamide
CID 81095052
5-(2-propoxyethylamino)pentanamide
CID 106237519
3-(3-propan-2-yloxypropylamino)propanamide
CID 2502548

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diethoxypropylamino)pentanamide?
The IUPAC name of 5-(3,3-diethoxypropylamino)pentanamide (CID 114162185) is 5-(3,3-diethoxypropylamino)pentanamide.
What is the SMILES notation for 5-(3,3-diethoxypropylamino)pentanamide?
The canonical SMILES for 5-(3,3-diethoxypropylamino)pentanamide is CCOC(CCNCCCCC(N)=O)OCC.
What is the InChIKey of 5-(3,3-diethoxypropylamino)pentanamide?
The InChIKey is OQHWKNZMFJIKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-3-16-12(17-4-2)8-10-14-9-6-5-7-11(13)15/h12,14H,3-10H2,1-2H3,(H2,13,15).
What are the key properties of 5-(3,3-diethoxypropylamino)pentanamide?
5-(3,3-diethoxypropylamino)pentanamide has a molecular weight of 246.35 g/mol, XLogP of 1.02, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diethoxypropylamino)pentanamide is sourced from PubChem (CID 114162185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).