6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium

C16H32NO6PY — CID 178169246

IUPAC6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium
SMILESO=C(COC1CCCCCCC1)NCCCCCCOP(=O)(O)O.[Y]
InChIInChI=1S/C16H32NO6P.Y/c18-16(14-22-15-10-6-2-1-3-7-11-15)17-12-8-4-5-9-13-23-24(19,20)21;/h15H,1-14H2,(H,17,18)(H2,19,20,21);
InChIKeyBZRQLWGVZDPWMA-UHFFFAOYSA-N
MW454.31 g/mol
LogP2.90
Rot. Bonds11

About 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium

6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium (PubChem CID 178169246) has the molecular formula C16H32NO6PY and a molecular weight of 454.31 g/mol. Its IUPAC name is 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium.

Molecular Properties

Compound Name6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium
PubChem CID178169246
Molecular FormulaC16H32NO6PY
Molecular Weight454.31 g/mol
Exact Mass454.10
IUPAC Name6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium
SMILESO=C(COC1CCCCCCC1)NCCCCCCOP(=O)(O)O.[Y]
InChIInChI=1S/C16H32NO6P.Y/c18-16(14-22-15-10-6-2-1-3-7-11-15)17-12-8-4-5-9-13-23-24(19,20)21;/h15H,1-14H2,(H,17,18)(H2,19,20,21);
InChIKeyBZRQLWGVZDPWMA-UHFFFAOYSA-N
XLogP2.90
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-2-piperidin-4-yloxyacetamide
CID 63875375
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
2-cyclopentyloxy-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119503016
2-cyclohexyloxy-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 111483333
6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate
CID 118012875
2-cyclopentyloxyacetohydrazide
CID 60782273
17-cyclopentylheptadecyl dihydrogen phosphate
CID 19374057
2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981
N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
N-(2-cyclohexyloxyethyl)-2-ethoxyacetamide
CID 61217692
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium?
The IUPAC name of 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium (CID 178169246) is 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium.
What is the SMILES notation for 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium?
The canonical SMILES for 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium is O=C(COC1CCCCCCC1)NCCCCCCOP(=O)(O)O.[Y].
What is the InChIKey of 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium?
The InChIKey is BZRQLWGVZDPWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32NO6P.Y/c18-16(14-22-15-10-6-2-1-3-7-11-15)17-12-8-4-5-9-13-23-24(19,20)21;/h15H,1-14H2,(H,17,18)(H2,19,20,21);.
What are the key properties of 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium?
6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium has a molecular weight of 454.31 g/mol, XLogP of 2.90, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium is sourced from PubChem (CID 178169246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).