benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate

C20H26NO6P — CID 23420220

IUPACbenzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate
SMILESCCOP(=O)(OCC)C(NC(=O)OCc1ccccc1)c1ccccc1OC
InChIInChI=1S/C20H26NO6P/c1-4-26-28(23,27-5-2)19(17-13-9-10-14-18(17)24-3)21-20(22)25-15-16-11-7-6-8-12-16/h6-14,19H,4-5,15H2,1-3H3,(H,21,22)
InChIKeyBTXYFISXZDFVGT-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.89
Rot. Bonds10

About benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate

benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate (PubChem CID 23420220) has the molecular formula C20H26NO6P and a molecular weight of 407.40 g/mol. Its IUPAC name is benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate
PubChem CID23420220
Molecular FormulaC20H26NO6P
Molecular Weight407.40 g/mol
Exact Mass407.15
IUPAC Namebenzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate
SMILESCCOP(=O)(OCC)C(NC(=O)OCc1ccccc1)c1ccccc1OC
InChIInChI=1S/C20H26NO6P/c1-4-26-28(23,27-5-2)19(17-13-9-10-14-18(17)24-3)21-20(22)25-15-16-11-7-6-8-12-16/h6-14,19H,4-5,15H2,1-3H3,(H,21,22)
InChIKeyBTXYFISXZDFVGT-UHFFFAOYSA-N
XLogP4.89
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[diethoxyphosphoryl-(3-methoxyphenyl)methyl]carbamate
CID 23420217
benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate
CID 10755704
ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 11132476
benzyl N-[(R)-diethoxyphosphoryl-(4-nitrophenyl)methyl]carbamate
CID 101262306
[(4-chlorophenyl)-(phenylmethoxycarbonylamino)methyl]-ethoxyphosphinic acid
CID 14959162
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate
CID 131858581
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
benzyl N-[dimethoxyphosphoryl-(3-methylphenyl)methyl]carbamate
CID 172774229
benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate
CID 134104684
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
benzyl N-[1-[ethoxy(methyl)phosphoryl]-3-methylbutyl]carbamate
CID 10426575

Frequently Asked Questions

What is the IUPAC name of benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate?
The IUPAC name of benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate (CID 23420220) is benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate is CCOP(=O)(OCC)C(NC(=O)OCc1ccccc1)c1ccccc1OC.
What is the InChIKey of benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate?
The InChIKey is BTXYFISXZDFVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NO6P/c1-4-26-28(23,27-5-2)19(17-13-9-10-14-18(17)24-3)21-20(22)25-15-16-11-7-6-8-12-16/h6-14,19H,4-5,15H2,1-3H3,(H,21,22).
What are the key properties of benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate?
benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate has a molecular weight of 407.40 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 23420220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).