[benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate

C20H24NO4P — CID 54129051

IUPAC[benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate
SMILESCC(C)N(C(C)C)P(OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C20H24NO4P/c1-15(2)21(16(3)4)26(24-19(22)17-11-7-5-8-12-17)25-20(23)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyNTAMYHCBRYRUND-UHFFFAOYSA-N
MW373.39 g/mol
LogP5.05
Rot. Bonds7

About [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate

[benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate (PubChem CID 54129051) has the molecular formula C20H24NO4P and a molecular weight of 373.39 g/mol. Its IUPAC name is [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate.

Molecular Properties

Compound Name[benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate
PubChem CID54129051
Molecular FormulaC20H24NO4P
Molecular Weight373.39 g/mol
Exact Mass373.14
IUPAC Name[benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate
SMILESCC(C)N(C(C)C)P(OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C20H24NO4P/c1-15(2)21(16(3)4)26(24-19(22)17-11-7-5-8-12-17)25-20(23)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyNTAMYHCBRYRUND-UHFFFAOYSA-N
XLogP5.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethyl benzoate
CID 174857426
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
1-benzoyloxypropan-2-yl(trimethyl)azanium
CID 24833435
(3,4-dibenzoyloxy-3-methylpentan-2-yl) benzoate
CID 21302045
(2R)-2-[benzoyloxycarbonyl(methyl)amino]propanoic acid
CID 87701580
methyl benzoate;2-methylpropan-1-ol
CID 69407319
1,1,1-trichloropropan-2-yl benzoate
CID 569862
[butyl(propan-2-yl)amino] benzoate
CID 163908227
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010

Frequently Asked Questions

What is the IUPAC name of [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate?
The IUPAC name of [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate (CID 54129051) is [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate.
What is the SMILES notation for [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate?
The canonical SMILES for [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate is CC(C)N(C(C)C)P(OC(=O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate?
The InChIKey is NTAMYHCBRYRUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO4P/c1-15(2)21(16(3)4)26(24-19(22)17-11-7-5-8-12-17)25-20(23)18-13-9-6-10-14-18/h5-16H,1-4H3.
What are the key properties of [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate?
[benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate has a molecular weight of 373.39 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyloxy-[di(propan-2-yl)amino]phosphanyl] benzoate is sourced from PubChem (CID 54129051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).