[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium

C16H25NO2P+ — CID 68812233

IUPAC[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium
SMILESCC(C)CN(CC(C)C)C(=O)C[P+](=O)c1ccccc1
InChIInChI=1S/C16H25NO2P/c1-13(2)10-17(11-14(3)4)16(18)12-20(19)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3/q+1
InChIKeyPKQJNICBMSQYAY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.28
Rot. Bonds7

About [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium

[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium (PubChem CID 68812233) has the molecular formula C16H25NO2P+ and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium.

Molecular Properties

Compound Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium
PubChem CID68812233
Molecular FormulaC16H25NO2P+
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium
SMILESCC(C)CN(CC(C)C)C(=O)C[P+](=O)c1ccccc1
InChIInChI=1S/C16H25NO2P/c1-13(2)10-17(11-14(3)4)16(18)12-20(19)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3/q+1
InChIKeyPKQJNICBMSQYAY-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide
CID 158335
Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
1-(diphenylphosphoryl)-N,N-diethylcyclobutanecarboxamide
CID 1046768
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
1-Butyl-2-oxo-2-phenyl-1,2lambda5-azaphospholidin-5-one
CID 44373297
1-(diphenylphosphoryl)-N,N-diethylcyclopropanecarboxamide
CID 698851
Acetamide, 2-(diphenylphosphinothioyl)-N,N-diethyl-
CID 796778
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium?
The IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium (CID 68812233) is [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium.
What is the SMILES notation for [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium?
The canonical SMILES for [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium is CC(C)CN(CC(C)C)C(=O)C[P+](=O)c1ccccc1.
What is the InChIKey of [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium?
The InChIKey is PKQJNICBMSQYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2P/c1-13(2)10-17(11-14(3)4)16(18)12-20(19)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3/q+1.
What are the key properties of [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium?
[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium has a molecular weight of 294.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylpropyl)amino]-2-oxoethyl]-oxo-phenylphosphanium is sourced from PubChem (CID 68812233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).