N-ethyl-2-(pentoxymethyl)pentanamide

C13H27NO2 — CID 140571338

IUPACN-ethyl-2-(pentoxymethyl)pentanamide
SMILESCCCCCOCC(CCC)C(=O)NCC
InChIInChI=1S/C13H27NO2/c1-4-7-8-10-16-11-12(9-5-2)13(15)14-6-3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyQPYNILCFPLMTSQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.75
Rot. Bonds10

About N-ethyl-2-(pentoxymethyl)pentanamide

N-ethyl-2-(pentoxymethyl)pentanamide (PubChem CID 140571338) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-ethyl-2-(pentoxymethyl)pentanamide.

Molecular Properties

Compound NameN-ethyl-2-(pentoxymethyl)pentanamide
PubChem CID140571338
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-ethyl-2-(pentoxymethyl)pentanamide
SMILESCCCCCOCC(CCC)C(=O)NCC
InChIInChI=1S/C13H27NO2/c1-4-7-8-10-16-11-12(9-5-2)13(15)14-6-3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyQPYNILCFPLMTSQ-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-2-(pentoxymethyl)pentanamide?
The IUPAC name of N-ethyl-2-(pentoxymethyl)pentanamide (CID 140571338) is N-ethyl-2-(pentoxymethyl)pentanamide.
What is the SMILES notation for N-ethyl-2-(pentoxymethyl)pentanamide?
The canonical SMILES for N-ethyl-2-(pentoxymethyl)pentanamide is CCCCCOCC(CCC)C(=O)NCC.
What is the InChIKey of N-ethyl-2-(pentoxymethyl)pentanamide?
The InChIKey is QPYNILCFPLMTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-7-8-10-16-11-12(9-5-2)13(15)14-6-3/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-2-(pentoxymethyl)pentanamide?
N-ethyl-2-(pentoxymethyl)pentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(pentoxymethyl)pentanamide is sourced from PubChem (CID 140571338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).