3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide

C15H27NO3 — CID 123469888

IUPAC3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide
SMILESCC=CCC(C)CC(C(C)=O)N(C)C(=O)CC(C)O
InChIInChI=1S/C15H27NO3/c1-6-7-8-11(2)9-14(13(4)18)16(5)15(19)10-12(3)17/h6-7,11-12,14,17H,8-10H2,1-5H3
InChIKeyZWCSZNDGXXTNIJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.17
Rot. Bonds8

About 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide

3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide (PubChem CID 123469888) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide
PubChem CID123469888
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide
SMILESCC=CCC(C)CC(C(C)=O)N(C)C(=O)CC(C)O
InChIInChI=1S/C15H27NO3/c1-6-7-8-11(2)9-14(13(4)18)16(5)15(19)10-12(3)17/h6-7,11-12,14,17H,8-10H2,1-5H3
InChIKeyZWCSZNDGXXTNIJ-UHFFFAOYSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide (CID 123469888) is 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide is CC=CCC(C)CC(C(C)=O)N(C)C(=O)CC(C)O.
What is the InChIKey of 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide?
The InChIKey is ZWCSZNDGXXTNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-7-8-11(2)9-14(13(4)18)16(5)15(19)10-12(3)17/h6-7,11-12,14,17H,8-10H2,1-5H3.
What are the key properties of 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide?
3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide has a molecular weight of 269.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide is sourced from PubChem (CID 123469888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).