[2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium

C18H27NO3P+ — CID 135065508

IUPAC[2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium
SMILESCC(C)(C)NC(=O)C(O[P+](=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26NO3P/c1-18(2,3)19-17(20)16(14-10-6-4-7-11-14)22-23(21)15-12-8-5-9-13-15/h5,8-9,12-14,16H,4,6-7,10-11H2,1-3H3/p+1
InChIKeyKTTHXCKMOIIINM-UHFFFAOYSA-O
MW336.39 g/mol
LogP3.93
Rot. Bonds5

About [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium

[2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium (PubChem CID 135065508) has the molecular formula C18H27NO3P+ and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium
PubChem CID135065508
Molecular FormulaC18H27NO3P+
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium
SMILESCC(C)(C)NC(=O)C(O[P+](=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26NO3P/c1-18(2,3)19-17(20)16(14-10-6-4-7-11-14)22-23(21)15-12-8-5-9-13-15/h5,8-9,12-14,16H,4,6-7,10-11H2,1-3H3/p+1
InChIKeyKTTHXCKMOIIINM-UHFFFAOYSA-O
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(1-hydroxy-3-phenylpropyl)-phenylphosphoryl]oxy-4-phenylbutanamide
CID 122214542
N-tert-butyl-2-[(1-hydroxy-3-phenylprop-2-ynyl)-phenylphosphoryl]oxy-4-phenylbutanamide
CID 122214548
[1-(Tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
CID 135064192
Oxo-[1-oxo-4-phenyl-1-(2,4,4-trimethylpentan-2-ylamino)butan-2-yl]oxy-phenylphosphanium
CID 135064193
[1-(Cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
CID 135064623
[1-(Tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-methylphenyl)-oxophosphanium
CID 135065870
N-tert-butyl-2-[[cyclohexyl(hydroxy)methyl]-phenylphosphoryl]oxy-4-phenylbutanamide
CID 135065871
[1-(Tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium
CID 135066360
4-[[(2S)-2-diethoxyphosphoryloxy-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 70051568
(3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide
CID 145030523
[1-(Cyclohexylamino)-1-oxo-4-phenylbutan-2-yl] dimethyl phosphate
CID 24950976

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium?
The IUPAC name of [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium (CID 135065508) is [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium.
What is the SMILES notation for [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium?
The canonical SMILES for [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium is CC(C)(C)NC(=O)C(O[P+](=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium?
The InChIKey is KTTHXCKMOIIINM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26NO3P/c1-18(2,3)19-17(20)16(14-10-6-4-7-11-14)22-23(21)15-12-8-5-9-13-15/h5,8-9,12-14,16H,4,6-7,10-11H2,1-3H3/p+1.
What are the key properties of [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium?
[2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium has a molecular weight of 336.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium is sourced from PubChem (CID 135065508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).