N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide

C10H21NO2 — CID 59974405

IUPACN-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide
SMILESCCC(=O)N(CC)CC(O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-10(13)11(6-2)7-9(12)8(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyJAAYSVXXZJCGQQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.26
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide

N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide (PubChem CID 59974405) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide
PubChem CID59974405
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide
SMILESCCC(=O)N(CC)CC(O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-10(13)11(6-2)7-9(12)8(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyJAAYSVXXZJCGQQ-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide (CID 59974405) is N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide is CCC(=O)N(CC)CC(O)C(C)C.
What is the InChIKey of N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide?
The InChIKey is JAAYSVXXZJCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-10(13)11(6-2)7-9(12)8(3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide?
N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide has a molecular weight of 187.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide is sourced from PubChem (CID 59974405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).