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

C16H25NO4P- — CID 86746778

IUPAC[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate
SMILESCCOP(=O)([O-])CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H26NO4P/c1-6-21-22(19,20)10-15(18)17-16-13(11(2)3)8-7-9-14(16)12(4)5/h7-9,11-12H,6,10H2,1-5H3,(H,17,18)(H,19,20)/p-1
InChIKeyQBAZYSSNMBQQPC-UHFFFAOYSA-M
MW326.35 g/mol
LogP3.46
Rot. Bonds7

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

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate (PubChem CID 86746778) has the molecular formula C16H25NO4P- and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate
PubChem CID86746778
Molecular FormulaC16H25NO4P-
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate
SMILESCCOP(=O)([O-])CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H26NO4P/c1-6-21-22(19,20)10-15(18)17-16-13(11(2)3)8-7-9-14(16)12(4)5/h7-9,11-12H,6,10H2,1-5H3,(H,17,18)(H,19,20)/p-1
InChIKeyQBAZYSSNMBQQPC-UHFFFAOYSA-M
XLogP3.46
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-phenylphosphinic acid
CID 19764426
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] propanoate
CID 7851212
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 2563965
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
CID 113000635
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524
2-[bis(2-methoxyethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 33483708

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate?
The IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate (CID 86746778) is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate?
The canonical SMILES for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate is CCOP(=O)([O-])CC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate?
The InChIKey is QBAZYSSNMBQQPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H26NO4P/c1-6-21-22(19,20)10-15(18)17-16-13(11(2)3)8-7-9-14(16)12(4)5/h7-9,11-12H,6,10H2,1-5H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate?
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate has a molecular weight of 326.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate is sourced from PubChem (CID 86746778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).