4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate

C25H44NO5P — CID 57254117

IUPAC4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate
SMILESCCCCCCCCCCC(CCC)(Cc1ccccc1)OP(=O)(O)ON1CCOCC1
InChIInChI=1S/C25H44NO5P/c1-3-5-6-7-8-9-10-14-18-25(17-4-2,23-24-15-12-11-13-16-24)30-32(27,28)31-26-19-21-29-22-20-26/h11-13,15-16H,3-10,14,17-23H2,1-2H3,(H,27,28)
InChIKeyAZHZWQZNSWQJAZ-UHFFFAOYSA-N
MW469.60 g/mol
LogP6.68
Rot. Bonds17

About 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate

4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate (PubChem CID 57254117) has the molecular formula C25H44NO5P and a molecular weight of 469.60 g/mol. Its IUPAC name is 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate.

Molecular Properties

Compound Name4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate
PubChem CID57254117
Molecular FormulaC25H44NO5P
Molecular Weight469.60 g/mol
Exact Mass469.30
IUPAC Name4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate
SMILESCCCCCCCCCCC(CCC)(Cc1ccccc1)OP(=O)(O)ON1CCOCC1
InChIInChI=1S/C25H44NO5P/c1-3-5-6-7-8-9-10-14-18-25(17-4-2,23-24-15-12-11-13-16-24)30-32(27,28)31-26-19-21-29-22-20-26/h11-13,15-16H,3-10,14,17-23H2,1-2H3,(H,27,28)
InChIKeyAZHZWQZNSWQJAZ-UHFFFAOYSA-N
XLogP6.68
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(4-benzyltetradecan-4-yl)morpholine
CID 54485656
4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride
CID 173231526
[2-(10-benzylnonadecan-10-yloxy)-2-nonylundecyl]benzene
CID 175936461
3-benzyl-3-decyltridecan-2-one
CID 21201320
8-benzylpentadecan-8-ol
CID 13016086
2,2-dibenzyltetradecanoic acid
CID 174897332
[2-(3-benzyl-2-methylheptadec-1-en-3-yl)oxy-2-prop-1-en-2-ylhexadecyl]benzene
CID 141409115
3-benzyl-3-(4,5-dihydroimidazol-1-yl)icosan-1-ol
CID 57110470
2-benzyl-2-(hydroxymethoxy)nonanamide
CID 141035749
2-benzyl-2-pentylpropanedioic acid
CID 141045476
3-benzyl-3-(4,5-dihydroimidazol-1-yl)icosan-1-ol;hydrochloride
CID 173004989
2,2-diethylundecylbenzene
CID 151975771

Frequently Asked Questions

What is the IUPAC name of 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate?
The IUPAC name of 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate (CID 57254117) is 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate.
What is the SMILES notation for 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate?
The canonical SMILES for 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate is CCCCCCCCCCC(CCC)(Cc1ccccc1)OP(=O)(O)ON1CCOCC1.
What is the InChIKey of 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate?
The InChIKey is AZHZWQZNSWQJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44NO5P/c1-3-5-6-7-8-9-10-14-18-25(17-4-2,23-24-15-12-11-13-16-24)30-32(27,28)31-26-19-21-29-22-20-26/h11-13,15-16H,3-10,14,17-23H2,1-2H3,(H,27,28).
What are the key properties of 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate?
4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate has a molecular weight of 469.60 g/mol, XLogP of 6.68, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate is sourced from PubChem (CID 57254117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).