N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide

C18H32NO10P3 — CID 102245240

IUPACN-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide
SMILESCCOP(=O)(CNC(=O)c1cc(CP(=O)(OC)OC)cc(CP(=O)(OC)OC)c1)OCC
InChIInChI=1S/C18H32NO10P3/c1-7-28-32(23,29-8-2)14-19-18(20)17-10-15(12-30(21,24-3)25-4)9-16(11-17)13-31(22,26-5)27-6/h9-11H,7-8,12-14H2,1-6H3,(H,19,20)
InChIKeyNJGWBKFMQURQOU-UHFFFAOYSA-N
MW515.37 g/mol
LogP4.61
Rot. Bonds15

About N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide

N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide (PubChem CID 102245240) has the molecular formula C18H32NO10P3 and a molecular weight of 515.37 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide
PubChem CID102245240
Molecular FormulaC18H32NO10P3
Molecular Weight515.37 g/mol
Exact Mass515.12
IUPAC NameN-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide
SMILESCCOP(=O)(CNC(=O)c1cc(CP(=O)(OC)OC)cc(CP(=O)(OC)OC)c1)OCC
InChIInChI=1S/C18H32NO10P3/c1-7-28-32(23,29-8-2)14-19-18(20)17-10-15(12-30(21,24-3)25-4)9-16(11-17)13-31(22,26-5)27-6/h9-11H,7-8,12-14H2,1-6H3,(H,19,20)
InChIKeyNJGWBKFMQURQOU-UHFFFAOYSA-N
XLogP4.61
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(dimethoxyphosphorylmethyl)benzoic acid
CID 15881526
1,3-bis(diethoxyphosphorylmethyl)-5-nitrobenzene
CID 132525939
2-bromo-N-(diethoxyphosphorylmethyl)acetamide
CID 54463736
(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide
CID 149250728
methyl 5-amino-7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate
CID 169170687
1-(diethoxyphosphorylmethyl)-3-phenylurea
CID 2301679
benzyl 3-(diethoxyphosphorylmethyl)benzoate
CID 10926532
[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate
CID 130408458
potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
CID 173169408
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
ethyl 4-(diethoxyphosphorylmethylamino)benzoate
CID 3087381
methyl 3-[[3,5-bis(2-dimethoxyphosphorylethyl)phenyl]methyl]-5-[(E)-2-diethoxyphosphorylethenyl]benzoate
CID 139533605

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide?
The IUPAC name of N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide (CID 102245240) is N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide is CCOP(=O)(CNC(=O)c1cc(CP(=O)(OC)OC)cc(CP(=O)(OC)OC)c1)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide?
The InChIKey is NJGWBKFMQURQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32NO10P3/c1-7-28-32(23,29-8-2)14-19-18(20)17-10-15(12-30(21,24-3)25-4)9-16(11-17)13-31(22,26-5)27-6/h9-11H,7-8,12-14H2,1-6H3,(H,19,20).
What are the key properties of N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide?
N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide has a molecular weight of 515.37 g/mol, XLogP of 4.61, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide is sourced from PubChem (CID 102245240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).