N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide

C11H21NO4 — CID 134215806

IUPACN-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide
SMILESCCC(C)(C)OCC(O)CC(=O)NC(C)=O
InChIInChI=1S/C11H21NO4/c1-5-11(3,4)16-7-9(14)6-10(15)12-8(2)13/h9,14H,5-7H2,1-4H3,(H,12,13,15)
InChIKeyAPWOTOWDLJAKJV-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.61
Rot. Bonds6

About N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide

N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide (PubChem CID 134215806) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide.

Molecular Properties

Compound NameN-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide
PubChem CID134215806
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide
SMILESCCC(C)(C)OCC(O)CC(=O)NC(C)=O
InChIInChI=1S/C11H21NO4/c1-5-11(3,4)16-7-9(14)6-10(15)12-8(2)13/h9,14H,5-7H2,1-4H3,(H,12,13,15)
InChIKeyAPWOTOWDLJAKJV-UHFFFAOYSA-N
XLogP0.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide?
The IUPAC name of N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide (CID 134215806) is N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide.
What is the SMILES notation for N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide?
The canonical SMILES for N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide is CCC(C)(C)OCC(O)CC(=O)NC(C)=O.
What is the InChIKey of N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide?
The InChIKey is APWOTOWDLJAKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-11(3,4)16-7-9(14)6-10(15)12-8(2)13/h9,14H,5-7H2,1-4H3,(H,12,13,15).
What are the key properties of N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide?
N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide has a molecular weight of 231.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-hydroxy-4-(2-methylbutan-2-yloxy)butanamide is sourced from PubChem (CID 134215806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).