3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide

C12H25NO3 — CID 91468812

IUPAC3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide
SMILESCCOC(C)CC(=O)NC(C(C)C)C(C)O
InChIInChI=1S/C12H25NO3/c1-6-16-9(4)7-11(15)13-12(8(2)3)10(5)14/h8-10,12,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyVKHOBEFTBGNXDL-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.32
Rot. Bonds7

About 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide

3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide (PubChem CID 91468812) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide
PubChem CID91468812
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide
SMILESCCOC(C)CC(=O)NC(C(C)C)C(C)O
InChIInChI=1S/C12H25NO3/c1-6-16-9(4)7-11(15)13-12(8(2)3)10(5)14/h8-10,12,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyVKHOBEFTBGNXDL-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide?
The IUPAC name of 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide (CID 91468812) is 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide.
What is the SMILES notation for 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide?
The canonical SMILES for 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide is CCOC(C)CC(=O)NC(C(C)C)C(C)O.
What is the InChIKey of 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide?
The InChIKey is VKHOBEFTBGNXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-16-9(4)7-11(15)13-12(8(2)3)10(5)14/h8-10,12,14H,6-7H2,1-5H3,(H,13,15).
What are the key properties of 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide?
3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide has a molecular weight of 231.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-hydroxy-4-methylpentan-3-yl)butanamide is sourced from PubChem (CID 91468812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).