N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide

C14H29NO3 — CID 155000379

IUPACN-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide
SMILESCCCC(CC)(CN(CC)C(=O)C(C)CO)OC
InChIInChI=1S/C14H29NO3/c1-6-9-14(7-2,18-5)11-15(8-3)13(17)12(4)10-16/h12,16H,6-11H2,1-5H3
InChIKeyHCALHKJGTCMWHG-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.06
Rot. Bonds9

About N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide

N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide (PubChem CID 155000379) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide
PubChem CID155000379
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide
SMILESCCCC(CC)(CN(CC)C(=O)C(C)CO)OC
InChIInChI=1S/C14H29NO3/c1-6-9-14(7-2,18-5)11-15(8-3)13(17)12(4)10-16/h12,16H,6-11H2,1-5H3
InChIKeyHCALHKJGTCMWHG-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.06
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-hydroxy-2-methylpropanamide?
The IUPAC name of N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide (CID 155000379) is N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide?
The canonical SMILES for N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide is CCCC(CC)(CN(CC)C(=O)C(C)CO)OC.
What is the InChIKey of N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide?
The InChIKey is HCALHKJGTCMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-6-9-14(7-2,18-5)11-15(8-3)13(17)12(4)10-16/h12,16H,6-11H2,1-5H3.
What are the key properties of N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide?
N-ethyl-N-(2-ethyl-2-methoxypentyl)-3-hydroxy-2-methylpropanamide has a molecular weight of 259.39 g/mol, XLogP of 2.06, 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-hydroxy-2-methylpropanamide is sourced from PubChem (CID 155000379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).