(cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium

C21H27NO2P+ — CID 101141188

IUPAC(cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium
SMILESCOC(=O)C[P+](NC1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2P/c1-24-21(23)17-25(19-13-7-3-8-14-19,20-15-9-4-10-16-20)22-18-11-5-2-6-12-18/h3-4,7-10,13-16,18,22H,2,5-6,11-12,17H2,1H3/q+1
InChIKeyBVYKLRGAHSXMDC-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.67
Rot. Bonds6

About (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium

(cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium (PubChem CID 101141188) has the molecular formula C21H27NO2P+ and a molecular weight of 356.43 g/mol. Its IUPAC name is (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium.

Molecular Properties

Compound Name(cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium
PubChem CID101141188
Molecular FormulaC21H27NO2P+
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium
SMILESCOC(=O)C[P+](NC1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2P/c1-24-21(23)17-25(19-13-7-3-8-14-19,20-15-9-4-10-16-20)22-18-11-5-2-6-12-18/h3-4,7-10,13-16,18,22H,2,5-6,11-12,17H2,1H3/q+1
InChIKeyBVYKLRGAHSXMDC-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.67
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

6-[Bromo(triphenyl)-lambda5-phosphanyl]hexylazanium;2,2,2-trifluoroacetate
CID 156874555
6-Aminohexyl(triphenyl)phosphanium;2,2,2-trifluoroacetate;hydrobromide
CID 173973329
Triphenylphosphonioglycinate
CID 13429025
methyl (2S)-2-(diphenylphosphorylamino)propanoate
CID 91978644
methyl (2S)-2-(diphenylphosphanylamino)propanoate
CID 101151632
alpha-Triphenylphosphonioglycinate
CID 129837734
2-[bromo(triphenyl)-lambda5-phosphanyl]ethyl (2S)-2-aminopropanoate
CID 134976921
methyl N-[phenyl-(propan-2-ylamino)-(2-trimethylstannylphenyl)-lambda5-phosphanylidene]carbamate
CID 135064190
methyl N-[diphenyl-(propan-2-ylamino)-lambda5-phosphanylidene]carbamate
CID 135086992
2-[(2S)-2-aminopropanoyl]oxyethyl-triphenylphosphanium bromide
CID 176444251
[6-Aminohexyl(triphenyl)-lambda5-phosphanyl] 2,2,2-trifluoroacetate
CID 172230470
2-(2-Aminoacetyl)oxyethyl-triphenylphosphanium
CID 138521831

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium?
The IUPAC name of (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium (CID 101141188) is (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium.
What is the SMILES notation for (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium?
The canonical SMILES for (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium is COC(=O)C[P+](NC1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium?
The InChIKey is BVYKLRGAHSXMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2P/c1-24-21(23)17-25(19-13-7-3-8-14-19,20-15-9-4-10-16-20)22-18-11-5-2-6-12-18/h3-4,7-10,13-16,18,22H,2,5-6,11-12,17H2,1H3/q+1.
What are the key properties of (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium?
(cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium has a molecular weight of 356.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)-(2-methoxy-2-oxoethyl)-diphenylphosphanium is sourced from PubChem (CID 101141188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).