N-(2-hydroxyethyl)-3-methylbutanamide

C7H15NO2 — CID 23588480

IUPACN-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCO
InChIInChI=1S/C7H15NO2/c1-6(2)5-7(10)8-3-4-9/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyUNTQHEZVCMSUQB-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.14
Rot. Bonds4

About N-(2-hydroxyethyl)-3-methylbutanamide

N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 23588480) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID23588480
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCO
InChIInChI=1S/C7H15NO2/c1-6(2)5-7(10)8-3-4-9/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyUNTQHEZVCMSUQB-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methylbutanamide (CID 23588480) is N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methylbutanamide is CC(C)CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is UNTQHEZVCMSUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)5-7(10)8-3-4-9/h6,9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-(2-hydroxyethyl)-3-methylbutanamide?
N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 145.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 23588480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).