N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide

C16H26N2O2 — CID 162402577

IUPACN-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide
SMILESCCCCCC(=O)NCCCOc1cc(C)nc(C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-6-8-16(19)17-9-7-10-20-15-11-13(2)18-14(3)12-15/h11-12H,4-10H2,1-3H3,(H,17,19)
InChIKeyRXFODTHBCRLOPU-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.16
Rot. Bonds9

About N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide

N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide (PubChem CID 162402577) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide
PubChem CID162402577
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide
SMILESCCCCCC(=O)NCCCOc1cc(C)nc(C)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-6-8-16(19)17-9-7-10-20-15-11-13(2)18-14(3)12-15/h11-12H,4-10H2,1-3H3,(H,17,19)
InChIKeyRXFODTHBCRLOPU-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide?
The IUPAC name of N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide (CID 162402577) is N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide.
What is the SMILES notation for N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide?
The canonical SMILES for N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide is CCCCCC(=O)NCCCOc1cc(C)nc(C)c1.
What is the InChIKey of N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide?
The InChIKey is RXFODTHBCRLOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-6-8-16(19)17-9-7-10-20-15-11-13(2)18-14(3)12-15/h11-12H,4-10H2,1-3H3,(H,17,19).
What are the key properties of N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide?
N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide has a molecular weight of 278.40 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethyl-4-pyridinyl)oxy]propyl]hexanamide is sourced from PubChem (CID 162402577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).