N-(1-hydroxybutan-2-yl)-2-methylbutanamide

C9H19NO2 — CID 43417864

IUPACN-(1-hydroxybutan-2-yl)-2-methylbutanamide
SMILESCCC(CO)NC(=O)C(C)CC
InChIInChI=1S/C9H19NO2/c1-4-7(3)9(12)10-8(5-2)6-11/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyUNQYNZMEUUYRQS-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-2-methylbutanamide

N-(1-hydroxybutan-2-yl)-2-methylbutanamide (PubChem CID 43417864) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-methylbutanamide
PubChem CID43417864
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1-hydroxybutan-2-yl)-2-methylbutanamide
SMILESCCC(CO)NC(=O)C(C)CC
InChIInChI=1S/C9H19NO2/c1-4-7(3)9(12)10-8(5-2)6-11/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyUNQYNZMEUUYRQS-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-methylbutanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-methylbutanamide (CID 43417864) is N-(1-hydroxybutan-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-methylbutanamide is CCC(CO)NC(=O)C(C)CC.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-methylbutanamide?
The InChIKey is UNQYNZMEUUYRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7(3)9(12)10-8(5-2)6-11/h7-8,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-methylbutanamide?
N-(1-hydroxybutan-2-yl)-2-methylbutanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-methylbutanamide is sourced from PubChem (CID 43417864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).