6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid

C11H22NO4P — CID 102525241

IUPAC6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid
SMILESC=CC(=O)N(CC)CCCCCCP(=O)(O)O
InChIInChI=1S/C11H22NO4P/c1-3-11(13)12(4-2)9-7-5-6-8-10-17(14,15)16/h3H,1,4-10H2,2H3,(H2,14,15,16)
InChIKeyYXSSNCGPOLEHKR-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.76
Rot. Bonds9

About 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid

6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid (PubChem CID 102525241) has the molecular formula C11H22NO4P and a molecular weight of 263.27 g/mol. Its IUPAC name is 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid.

Molecular Properties

Compound Name6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid
PubChem CID102525241
Molecular FormulaC11H22NO4P
Molecular Weight263.27 g/mol
Exact Mass263.13
IUPAC Name6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid
SMILESC=CC(=O)N(CC)CCCCCCP(=O)(O)O
InChIInChI=1S/C11H22NO4P/c1-3-11(13)12(4-2)9-7-5-6-8-10-17(14,15)16/h3H,1,4-10H2,2H3,(H2,14,15,16)
InChIKeyYXSSNCGPOLEHKR-UHFFFAOYSA-N
XLogP1.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate
CID 142375192
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid
CID 58288631
N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide
CID 102991803
[1-phosphono-7-[prop-2-enoyl-[2-[prop-2-enoyl(propyl)amino]ethyl]amino]heptyl]phosphonic acid
CID 134429982
2-[11-[ethyl(prop-2-enoyl)amino]undecyl-dimethylazaniumyl]acetate
CID 126688640
N,N-bis(5-hydroxypentyl)prop-2-enamide
CID 87130034
N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 101483878
(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide
CID 135296269
5-phosphonopentylphosphonic acid
CID 2773804
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid?
The IUPAC name of 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid (CID 102525241) is 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid.
What is the SMILES notation for 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid?
The canonical SMILES for 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid is C=CC(=O)N(CC)CCCCCCP(=O)(O)O.
What is the InChIKey of 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid?
The InChIKey is YXSSNCGPOLEHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO4P/c1-3-11(13)12(4-2)9-7-5-6-8-10-17(14,15)16/h3H,1,4-10H2,2H3,(H2,14,15,16).
What are the key properties of 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid?
6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid has a molecular weight of 263.27 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid is sourced from PubChem (CID 102525241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).