4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one

C24H26NO4P — CID 176899373

IUPAC4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one
SMILESCC(=O)C(C(N)c1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H26NO4P/c1-19(26)24(23(25)22-15-9-4-10-16-22)30(27,28-17-20-11-5-2-6-12-20)29-18-21-13-7-3-8-14-21/h2-16,23-24H,17-18,25H2,1H3
InChIKeyOTGZSASFGKWLNM-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.27
Rot. Bonds10

About 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one

4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one (PubChem CID 176899373) has the molecular formula C24H26NO4P and a molecular weight of 423.45 g/mol. Its IUPAC name is 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one
PubChem CID176899373
Molecular FormulaC24H26NO4P
Molecular Weight423.45 g/mol
Exact Mass423.16
IUPAC Name4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one
SMILESCC(=O)C(C(N)c1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H26NO4P/c1-19(26)24(23(25)22-15-9-4-10-16-22)30(27,28-17-20-11-5-2-6-12-20)29-18-21-13-7-3-8-14-21/h2-16,23-24H,17-18,25H2,1H3
InChIKeyOTGZSASFGKWLNM-UHFFFAOYSA-N
XLogP5.27
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one?
The IUPAC name of 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one (CID 176899373) is 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one.
What is the SMILES notation for 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one?
The canonical SMILES for 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one is CC(=O)C(C(N)c1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one?
The InChIKey is OTGZSASFGKWLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NO4P/c1-19(26)24(23(25)22-15-9-4-10-16-22)30(27,28-17-20-11-5-2-6-12-20)29-18-21-13-7-3-8-14-21/h2-16,23-24H,17-18,25H2,1H3.
What are the key properties of 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one?
4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one has a molecular weight of 423.45 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bis(phenylmethoxy)phosphoryl-4-phenylbutan-2-one is sourced from PubChem (CID 176899373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).