N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide

C13H27NO3 — CID 155068814

IUPACN-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide
SMILESCCCC(CC)(CN(CC)C(=O)CCO)OC
InChIInChI=1S/C13H27NO3/c1-5-9-13(6-2,17-4)11-14(7-3)12(16)8-10-15/h15H,5-11H2,1-4H3
InChIKeyGQVXCDWSDPQDGJ-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.81
Rot. Bonds9

About N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide

N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide (PubChem CID 155068814) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide
PubChem CID155068814
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide
SMILESCCCC(CC)(CN(CC)C(=O)CCO)OC
InChIInChI=1S/C13H27NO3/c1-5-9-13(6-2,17-4)11-14(7-3)12(16)8-10-15/h15H,5-11H2,1-4H3
InChIKeyGQVXCDWSDPQDGJ-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide?
The IUPAC name of N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide (CID 155068814) is N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide.
What is the SMILES notation for N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide?
The canonical SMILES for N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide is CCCC(CC)(CN(CC)C(=O)CCO)OC.
What is the InChIKey of N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide?
The InChIKey is GQVXCDWSDPQDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-9-13(6-2,17-4)11-14(7-3)12(16)8-10-15/h15H,5-11H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide?
N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide has a molecular weight of 245.36 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxypropanamide is sourced from PubChem (CID 155068814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).