[3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium

C19H33NO4P+ — CID 91932974

IUPAC[3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium
SMILESCCCCCCCCc1ccc(CCC(N)CC(=O)[P+](O)(O)O)cc1
InChIInChI=1S/C19H33NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-24H,2-8,13-15,20H2,1H3/q+1
InChIKeyGJPUSXFUJFPLDA-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.51
Rot. Bonds13

About [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium

[3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium (PubChem CID 91932974) has the molecular formula C19H33NO4P+ and a molecular weight of 370.45 g/mol. Its IUPAC name is [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium
PubChem CID91932974
Molecular FormulaC19H33NO4P+
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Name[3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium
SMILESCCCCCCCCc1ccc(CCC(N)CC(=O)[P+](O)(O)O)cc1
InChIInChI=1S/C19H33NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-24H,2-8,13-15,20H2,1H3/q+1
InChIKeyGJPUSXFUJFPLDA-UHFFFAOYSA-N
XLogP3.51
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.51
H-Bond Donors ≤ 54
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

2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
CID 10064205
methyl 2-amino-4-(4-octylphenyl)butanoate;hydrochloride
CID 22618877
8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane
CID 142803034
4-amino-6-hydroxy-1-(4-octylphenyl)hexan-3-one
CID 58507002
(3S)-3-[amino-(4-heptylphenyl)methyl]heptanamide
CID 67621306
3-[(4-hexylphenyl)methylamino]propanoyl-trihydroxyphosphanium
CID 123781472
1-(4-methylphenyl)decan-3-amine
CID 105125085
(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
2-amino-3-(4-heptylphenyl)propanoic acid
CID 170879327
diethyl 2-(4-hexylphenyl)propanedioate
CID 12924928
ethyl 2-amino-3-(4-pentylphenyl)propanoate
CID 170884689
[3-amino-7-(4-hexylphenyl)heptyl]phosphonic acid
CID 10150154

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium?
The IUPAC name of [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium (CID 91932974) is [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium.
What is the SMILES notation for [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium?
The canonical SMILES for [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium is CCCCCCCCc1ccc(CCC(N)CC(=O)[P+](O)(O)O)cc1.
What is the InChIKey of [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium?
The InChIKey is GJPUSXFUJFPLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-24H,2-8,13-15,20H2,1H3/q+1.
What are the key properties of [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium?
[3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium has a molecular weight of 370.45 g/mol, XLogP of 3.51, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium is sourced from PubChem (CID 91932974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).