N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid

C10H17NO5P2 — CID 58140309

IUPACN-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid
SMILESCCOP(=O)(O)N(Cc1ccccc1)P(C)(=O)O
InChIInChI=1S/C10H17NO5P2/c1-3-16-18(14,15)11(17(2,12)13)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJOYZWRFKORAYPZ-UHFFFAOYSA-N
MW293.20 g/mol
LogP2.44
Rot. Bonds6

About N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid

N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid (PubChem CID 58140309) has the molecular formula C10H17NO5P2 and a molecular weight of 293.20 g/mol. Its IUPAC name is N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid.

Molecular Properties

Compound NameN-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid
PubChem CID58140309
Molecular FormulaC10H17NO5P2
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC NameN-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid
SMILESCCOP(=O)(O)N(Cc1ccccc1)P(C)(=O)O
InChIInChI=1S/C10H17NO5P2/c1-3-16-18(14,15)11(17(2,12)13)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyJOYZWRFKORAYPZ-UHFFFAOYSA-N
XLogP2.44
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 52.44
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

N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol
CID 11314906
azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)
CID 25169005
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157
2-diethoxyphosphorylethylbenzene
CID 3448525
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-3-phenylpropan-1-ol
CID 12965017
(1R,2S)-2-(dibenzylamino)-1-[ethoxy(prop-2-enyl)phosphoryl]-3-phenylpropan-1-ol
CID 101231689

Frequently Asked Questions

What is the IUPAC name of N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid?
The IUPAC name of N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid (CID 58140309) is N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid.
What is the SMILES notation for N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid?
The canonical SMILES for N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid is CCOP(=O)(O)N(Cc1ccccc1)P(C)(=O)O.
What is the InChIKey of N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid?
The InChIKey is JOYZWRFKORAYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5P2/c1-3-16-18(14,15)11(17(2,12)13)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid?
N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid has a molecular weight of 293.20 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid is sourced from PubChem (CID 58140309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).