6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one

C27H32NO4P — CID 58600371

IUPAC6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one
SMILESCCC(=O)C(CC(C)N(C)P(=O)(OC)Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32NO4P/c1-5-26(29)27(23-15-9-6-10-16-23,24-17-11-7-12-18-24)21-22(2)28(3)33(30,31-4)32-25-19-13-8-14-20-25/h6-20,22H,5,21H2,1-4H3
InChIKeyZBDXFYWXEVJWQG-UHFFFAOYSA-N
MW465.53 g/mol
LogP6.50
Rot. Bonds11

About 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one

6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one (PubChem CID 58600371) has the molecular formula C27H32NO4P and a molecular weight of 465.53 g/mol. Its IUPAC name is 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one.

Molecular Properties

Compound Name6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one
PubChem CID58600371
Molecular FormulaC27H32NO4P
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC Name6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one
SMILESCCC(=O)C(CC(C)N(C)P(=O)(OC)Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32NO4P/c1-5-26(29)27(23-15-9-6-10-16-23,24-17-11-7-12-18-24)21-22(2)28(3)33(30,31-4)32-25-19-13-8-14-20-25/h6-20,22H,5,21H2,1-4H3
InChIKeyZBDXFYWXEVJWQG-UHFFFAOYSA-N
XLogP6.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-N-methyl-N-(5-oxo-4,4-diphenylheptan-2-yl)phosphonamidic acid
CID 143187382
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
CID 131842164
(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
CID 154665813
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
N,N-dimethyl-5-oxo-4,4-diphenylheptan-2-amine oxide
CID 610077
(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
CID 164732652
[(2S,3R)-2-hydroxy-6-oxo-5,5-diphenyloctan-3-yl]-dimethylazanium
CID 164732578
(7S)-7-(dimethylamino)-5,5-diphenyloct-1-yn-4-one
CID 154665818
(4S,6R)-6-(dimethylamino)-4-phenyl-4-(2,3,6-trifluorophenyl)heptan-3-one
CID 164732602

Frequently Asked Questions

What is the IUPAC name of 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one?
The IUPAC name of 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one (CID 58600371) is 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one.
What is the SMILES notation for 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one?
The canonical SMILES for 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one is CCC(=O)C(CC(C)N(C)P(=O)(OC)Oc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one?
The InChIKey is ZBDXFYWXEVJWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32NO4P/c1-5-26(29)27(23-15-9-6-10-16-23,24-17-11-7-12-18-24)21-22(2)28(3)33(30,31-4)32-25-19-13-8-14-20-25/h6-20,22H,5,21H2,1-4H3.
What are the key properties of 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one?
6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one has a molecular weight of 465.53 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methoxy(phenoxy)phosphoryl]-methylamino]-4,4-diphenylheptan-3-one is sourced from PubChem (CID 58600371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).