2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide

C13H25NO2 — CID 90950606

IUPAC2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide
SMILESCC=CC(CC(C)C)NC(=O)C(O)C(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-11(8-9(2)3)14-13(16)12(15)10(4)5/h6-7,9-12,15H,8H2,1-5H3,(H,14,16)
InChIKeyAWWLPOVYWRAFEX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.11
Rot. Bonds6

About 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide

2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide (PubChem CID 90950606) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide
PubChem CID90950606
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide
SMILESCC=CC(CC(C)C)NC(=O)C(O)C(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-11(8-9(2)3)14-13(16)12(15)10(4)5/h6-7,9-12,15H,8H2,1-5H3,(H,14,16)
InChIKeyAWWLPOVYWRAFEX-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide (CID 90950606) is 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide is CC=CC(CC(C)C)NC(=O)C(O)C(C)C.
What is the InChIKey of 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide?
The InChIKey is AWWLPOVYWRAFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-7-11(8-9(2)3)14-13(16)12(15)10(4)5/h6-7,9-12,15H,8H2,1-5H3,(H,14,16).
What are the key properties of 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide?
2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide is sourced from PubChem (CID 90950606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).