3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one

C13H21N2O3P — CID 10085269

IUPAC3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one
SMILESCCNP(=O)(NCC)OCCC(=O)c1ccccc1
InChIInChI=1S/C13H21N2O3P/c1-3-14-19(17,15-4-2)18-11-10-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,14,15,17)
InChIKeyHZWVAHVZEWANCZ-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.60
Rot. Bonds9

About 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one

3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one (PubChem CID 10085269) has the molecular formula C13H21N2O3P and a molecular weight of 284.30 g/mol. Its IUPAC name is 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one
PubChem CID10085269
Molecular FormulaC13H21N2O3P
Molecular Weight284.30 g/mol
Exact Mass284.13
IUPAC Name3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one
SMILESCCNP(=O)(NCC)OCCC(=O)c1ccccc1
InChIInChI=1S/C13H21N2O3P/c1-3-14-19(17,15-4-2)18-11-10-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,14,15,17)
InChIKeyHZWVAHVZEWANCZ-UHFFFAOYSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-phenylpropan-1-one
CID 10942788
1-phenylbutan-1-one
CID 10315
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
1-phenylbutan-1-one;hydrobromide
CID 139638507
methyl phenacyl hydrogen phosphate
CID 151367675
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
3-heptoxy-1-phenylpropan-1-one
CID 116692052
benzene;2-hydroxy-1-phenylethanone
CID 174663024
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
methanethiol;1-phenylbutan-1-one
CID 143799522
butanoic acid;2-hydroxy-1-phenylethanone
CID 175969128
(3-oxo-3-phenylpropyl) hydrogen sulfite
CID 174749315

Frequently Asked Questions

What is the IUPAC name of 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one?
The IUPAC name of 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one (CID 10085269) is 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one?
The canonical SMILES for 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one is CCNP(=O)(NCC)OCCC(=O)c1ccccc1.
What is the InChIKey of 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one?
The InChIKey is HZWVAHVZEWANCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2O3P/c1-3-14-19(17,15-4-2)18-11-10-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,14,15,17).
What are the key properties of 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one?
3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one has a molecular weight of 284.30 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one is sourced from PubChem (CID 10085269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).