6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide

C16H27NO4 — CID 10935381

IUPAC6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide
SMILESCCCCCC(C)CCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H27NO4/c1-3-4-5-6-12(2)7-8-13(18)11-15(19)17-14-9-10-21-16(14)20/h12,14H,3-11H2,1-2H3,(H,17,19)/t12?,14-/m0/s1
InChIKeyJBOLYOUZDZUFBX-PYMCNQPYSA-N
MW297.40 g/mol
LogP2.37
Rot. Bonds10

About 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide

6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide (PubChem CID 10935381) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide.

Molecular Properties

Compound Name6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide
PubChem CID10935381
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide
SMILESCCCCCC(C)CCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H27NO4/c1-3-4-5-6-12(2)7-8-13(18)11-15(19)17-14-9-10-21-16(14)20/h12,14H,3-11H2,1-2H3,(H,17,19)/t12?,14-/m0/s1
InChIKeyJBOLYOUZDZUFBX-PYMCNQPYSA-N
XLogP2.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide?
The IUPAC name of 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide (CID 10935381) is 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide.
What is the SMILES notation for 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide?
The canonical SMILES for 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide is CCCCCC(C)CCC(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide?
The InChIKey is JBOLYOUZDZUFBX-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-4-5-6-12(2)7-8-13(18)11-15(19)17-14-9-10-21-16(14)20/h12,14H,3-11H2,1-2H3,(H,17,19)/t12?,14-/m0/s1.
What are the key properties of 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide?
6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide has a molecular weight of 297.40 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxo-N-[(3S)-2-oxooxolan-3-yl]undecanamide is sourced from PubChem (CID 10935381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).