1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine

C19H27NO4P2 — CID 177454957

IUPAC1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
SMILESCCOP(=O)(OCC)C(CC)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H27NO4P2/c1-4-19(26(22,23-5-2)24-6-3)20-25(21,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19H,4-6H2,1-3H3,(H,20,21)
InChIKeyUVEUCWREEWZASH-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.51
Rot. Bonds10

About 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine

1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine (PubChem CID 177454957) has the molecular formula C19H27NO4P2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
PubChem CID177454957
Molecular FormulaC19H27NO4P2
Molecular Weight395.38 g/mol
Exact Mass395.14
IUPAC Name1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
SMILESCCOP(=O)(OCC)C(CC)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H27NO4P2/c1-4-19(26(22,23-5-2)24-6-3)20-25(21,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19H,4-6H2,1-3H3,(H,20,21)
InChIKeyUVEUCWREEWZASH-UHFFFAOYSA-N
XLogP4.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
CID 101087200
(2R)-N-diphenylphosphoryl-1-phenylpentan-2-amine
CID 14934133
(1S)-N-diphenylphosphoryl-1-(2-methylphenyl)propan-1-amine
CID 101267693
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
(2S)-2-[[ethoxy(phenyl)phosphoryl]amino]-3-methylbutanoic acid
CID 71426419
(3R)-3-(benzylamino)-3-diethoxyphosphorylpropanenitrile
CID 102399088
[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane
CID 23420114
1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine
CID 23415563

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine?
The IUPAC name of 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine (CID 177454957) is 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine.
What is the SMILES notation for 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine?
The canonical SMILES for 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine is CCOP(=O)(OCC)C(CC)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine?
The InChIKey is UVEUCWREEWZASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4P2/c1-4-19(26(22,23-5-2)24-6-3)20-25(21,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine?
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine has a molecular weight of 395.38 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine is sourced from PubChem (CID 177454957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).