2-(undec-10-enoylamino)ethyl dihydrogen phosphate

C13H26NO5P — CID 10380486

IUPAC2-(undec-10-enoylamino)ethyl dihydrogen phosphate
SMILESC=CCCCCCCCCC(=O)NCCOP(=O)(O)O
InChIInChI=1S/C13H26NO5P/c1-2-3-4-5-6-7-8-9-10-13(15)14-11-12-19-20(16,17)18/h2H,1,3-12H2,(H,14,15)(H2,16,17,18)
InChIKeyORAPBJSIDIBMGA-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.52
Rot. Bonds13

About 2-(undec-10-enoylamino)ethyl dihydrogen phosphate

2-(undec-10-enoylamino)ethyl dihydrogen phosphate (PubChem CID 10380486) has the molecular formula C13H26NO5P and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-(undec-10-enoylamino)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(undec-10-enoylamino)ethyl dihydrogen phosphate
PubChem CID10380486
Molecular FormulaC13H26NO5P
Molecular Weight307.33 g/mol
Exact Mass307.15
IUPAC Name2-(undec-10-enoylamino)ethyl dihydrogen phosphate
SMILESC=CCCCCCCCCC(=O)NCCOP(=O)(O)O
InChIInChI=1S/C13H26NO5P/c1-2-3-4-5-6-7-8-9-10-13(15)14-11-12-19-20(16,17)18/h2H,1,3-12H2,(H,14,15)(H2,16,17,18)
InChIKeyORAPBJSIDIBMGA-UHFFFAOYSA-N
XLogP2.52
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxybutanoylamino)ethyl dihydrogen phosphate
CID 87671485
N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
CID 71392102
6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate
CID 118012875
N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
CID 59864047
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
6-(2-but-3-enoxyethylamino)-6-oxohexanoic acid
CID 106394786
3-(undec-10-enoylamino)propane-1-sulfonic acid
CID 101283812
(Z)-N-(2-dihydroxyphosphinothioyloxyethyl)octadec-9-enamide
CID 122191542
N-[2-(ethylidenecarbamothioylamino)ethyl]undec-10-enamide
CID 141055788
[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate
CID 87685795
[31-(hydroxyamino)-31-oxohentriacontyl] dihydrogen phosphate
CID 87683294

Frequently Asked Questions

What is the IUPAC name of 2-(undec-10-enoylamino)ethyl dihydrogen phosphate?
The IUPAC name of 2-(undec-10-enoylamino)ethyl dihydrogen phosphate (CID 10380486) is 2-(undec-10-enoylamino)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(undec-10-enoylamino)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(undec-10-enoylamino)ethyl dihydrogen phosphate is C=CCCCCCCCCC(=O)NCCOP(=O)(O)O.
What is the InChIKey of 2-(undec-10-enoylamino)ethyl dihydrogen phosphate?
The InChIKey is ORAPBJSIDIBMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO5P/c1-2-3-4-5-6-7-8-9-10-13(15)14-11-12-19-20(16,17)18/h2H,1,3-12H2,(H,14,15)(H2,16,17,18).
What are the key properties of 2-(undec-10-enoylamino)ethyl dihydrogen phosphate?
2-(undec-10-enoylamino)ethyl dihydrogen phosphate has a molecular weight of 307.33 g/mol, XLogP of 2.52, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undec-10-enoylamino)ethyl dihydrogen phosphate is sourced from PubChem (CID 10380486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).