3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide

C14H23NO4 — CID 10221060

IUPAC3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide
SMILESCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyKYGIKEQVUKTKRR-LBPRGKRZSA-N
MW269.34 g/mol
LogP1.74
Rot. Bonds9

About 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide

3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide (PubChem CID 10221060) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide.

Molecular Properties

Compound Name3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide
PubChem CID10221060
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide
SMILESCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyKYGIKEQVUKTKRR-LBPRGKRZSA-N
XLogP1.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.74
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 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide?
The IUPAC name of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide (CID 10221060) is 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide.
What is the SMILES notation for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide?
The canonical SMILES for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide is CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide?
The InChIKey is KYGIKEQVUKTKRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide?
3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide has a molecular weight of 269.34 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide is sourced from PubChem (CID 10221060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).