[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid

C20H26NO3P — CID 19764426

IUPAC[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CP(=O)(O)c1ccccc1
InChIInChI=1S/C20H26NO3P/c1-14(2)17-11-8-12-18(15(3)4)20(17)21-19(22)13-25(23,24)16-9-6-5-7-10-16/h5-12,14-15H,13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyMUHHNSIGDPZYIT-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.47
Rot. Bonds6

About [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid (PubChem CID 19764426) has the molecular formula C20H26NO3P and a molecular weight of 359.41 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
PubChem CID19764426
Molecular FormulaC20H26NO3P
Molecular Weight359.41 g/mol
Exact Mass359.17
IUPAC Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CP(=O)(O)c1ccccc1
InChIInChI=1S/C20H26NO3P/c1-14(2)17-11-8-12-18(15(3)4)20(17)21-19(22)13-25(23,24)16-9-6-5-7-10-16/h5-12,14-15H,13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyMUHHNSIGDPZYIT-UHFFFAOYSA-N
XLogP4.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate
CID 86746778
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7574872
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8541792
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
CID 11223159
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid?
The IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid (CID 19764426) is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid?
The canonical SMILES for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid is CC(C)c1cccc(C(C)C)c1NC(=O)CP(=O)(O)c1ccccc1.
What is the InChIKey of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid?
The InChIKey is MUHHNSIGDPZYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NO3P/c1-14(2)17-11-8-12-18(15(3)4)20(17)21-19(22)13-25(23,24)16-9-6-5-7-10-16/h5-12,14-15H,13H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid?
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid has a molecular weight of 359.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid is sourced from PubChem (CID 19764426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).