2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide

C52H104N2O3 — CID 173246682

IUPAC2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)NONC(=O)C(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C52H104N2O3/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2)51(55)53-57-54-52(56)50(47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h49-50H,5-48H2,1-4H3,(H,53,55)(H,54,56)
InChIKeyHQDWHBTXHHVMON-UHFFFAOYSA-N
MW805.41 g/mol
LogP17.54
Rot. Bonds48

About 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide

2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide (PubChem CID 173246682) has the molecular formula C52H104N2O3 and a molecular weight of 805.41 g/mol. Its IUPAC name is 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide.

Molecular Properties

Compound Name2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide
PubChem CID173246682
Molecular FormulaC52H104N2O3
Molecular Weight805.41 g/mol
Exact Mass804.80
IUPAC Name2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)NONC(=O)C(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C52H104N2O3/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2)51(55)53-57-54-52(56)50(47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h49-50H,5-48H2,1-4H3,(H,53,55)(H,54,56)
InChIKeyHQDWHBTXHHVMON-UHFFFAOYSA-N
XLogP17.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds48
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.41
LogP ≤ 517.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-N-hydroxyoctanamide
CID 139661264
methyl 2-undecyltridecanoate
CID 176610383
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
9,11-dipentylnonadecan-10-one
CID 174915946
11,13-diheptyltricosan-12-one
CID 175328104
N-octadecyl-2-octylicosanamide
CID 154636535
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
3-pentylnonan-2-one
CID 21290467
methyl 2-propyltetradecanoate
CID 174361538
2-hexyloctanamide
CID 87302701
3-butylundecan-2-one
CID 10922232

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide?
The IUPAC name of 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide (CID 173246682) is 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide.
What is the SMILES notation for 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide?
The canonical SMILES for 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide is CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)NONC(=O)C(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide?
The InChIKey is HQDWHBTXHHVMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H104N2O3/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2)51(55)53-57-54-52(56)50(47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h49-50H,5-48H2,1-4H3,(H,53,55)(H,54,56).
What are the key properties of 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide?
2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide has a molecular weight of 805.41 g/mol, XLogP of 17.54, 48 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide is sourced from PubChem (CID 173246682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).