N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide

C19H33NO4 — CID 87395765

IUPACN-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@H]1CCC(=O)OC1=O
InChIInChI=1S/C19H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16-14-15-18(22)24-19(16)23/h16H,2-15H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyJKJAGGSSIABANO-INIZCTEOSA-N
MW339.48 g/mol
LogP4.04
Rot. Bonds13

About N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide

N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide (PubChem CID 87395765) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide
PubChem CID87395765
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC NameN-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@H]1CCC(=O)OC1=O
InChIInChI=1S/C19H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16-14-15-18(22)24-19(16)23/h16H,2-15H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyJKJAGGSSIABANO-INIZCTEOSA-N
XLogP4.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.04
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 N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide?
The IUPAC name of N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide (CID 87395765) is N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide.
What is the SMILES notation for N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide?
The canonical SMILES for N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)N[C@H]1CCC(=O)OC1=O.
What is the InChIKey of N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide?
The InChIKey is JKJAGGSSIABANO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16-14-15-18(22)24-19(16)23/h16H,2-15H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide?
N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide has a molecular weight of 339.48 g/mol, XLogP of 4.04, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide is sourced from PubChem (CID 87395765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).