2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone

C24H26NO3P — CID 59082835

IUPAC2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone
SMILESCP(=O)(OCc1ccccc1)C(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26NO3P/c1-29(27,28-20-23-15-9-4-10-16-23)24(26)19-25(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16H,17-20H2,1H3
InChIKeyOXJVWWHFRSSRPP-UHFFFAOYSA-N
MW407.45 g/mol
LogP5.34
Rot. Bonds10

About 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone

2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone (PubChem CID 59082835) has the molecular formula C24H26NO3P and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone.

Molecular Properties

Compound Name2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone
PubChem CID59082835
Molecular FormulaC24H26NO3P
Molecular Weight407.45 g/mol
Exact Mass407.17
IUPAC Name2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone
SMILESCP(=O)(OCc1ccccc1)C(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26NO3P/c1-29(27,28-20-23-15-9-4-10-16-23)24(26)19-25(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16H,17-20H2,1H3
InChIKeyOXJVWWHFRSSRPP-UHFFFAOYSA-N
XLogP5.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 55.34
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

1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
4-(diethylaminomethyl)-N-phenylmethoxybenzamide
CID 38036519
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
dibenzyl hydrogen phosphate;silver
CID 85301331
bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
CID 10778014
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
[phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene
CID 71387849

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone?
The IUPAC name of 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone (CID 59082835) is 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone.
What is the SMILES notation for 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone?
The canonical SMILES for 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone is CP(=O)(OCc1ccccc1)C(=O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone?
The InChIKey is OXJVWWHFRSSRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NO3P/c1-29(27,28-20-23-15-9-4-10-16-23)24(26)19-25(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16H,17-20H2,1H3.
What are the key properties of 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone?
2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone has a molecular weight of 407.45 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone is sourced from PubChem (CID 59082835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).