N-diphenoxyphosphoryl-2-phenylethanamine

C20H20NO3P — CID 26793774

IUPACN-diphenoxyphosphoryl-2-phenylethanamine
SMILESO=P(NCCc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H20NO3P/c22-25(23-19-12-6-2-7-13-19,24-20-14-8-3-9-15-20)21-17-16-18-10-4-1-5-11-18/h1-15H,16-17H2,(H,21,22)
InChIKeyNGWMPMPMUIUZST-UHFFFAOYSA-N
MW353.36 g/mol
LogP5.08
Rot. Bonds8

About N-diphenoxyphosphoryl-2-phenylethanamine

N-diphenoxyphosphoryl-2-phenylethanamine (PubChem CID 26793774) has the molecular formula C20H20NO3P and a molecular weight of 353.36 g/mol. Its IUPAC name is N-diphenoxyphosphoryl-2-phenylethanamine.

Molecular Properties

Compound NameN-diphenoxyphosphoryl-2-phenylethanamine
PubChem CID26793774
Molecular FormulaC20H20NO3P
Molecular Weight353.36 g/mol
Exact Mass353.12
IUPAC NameN-diphenoxyphosphoryl-2-phenylethanamine
SMILESO=P(NCCc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H20NO3P/c22-25(23-19-12-6-2-7-13-19,24-20-14-8-3-9-15-20)21-17-16-18-10-4-1-5-11-18/h1-15H,16-17H2,(H,21,22)
InChIKeyNGWMPMPMUIUZST-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.36
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide
CID 140893873
[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
N-[phenoxy(phenyl)phosphoryl]-1-phenylmethanamine
CID 143869037
2-(diphenoxyphosphorylamino)ethyl carbamimidothioate;hydrobromide
CID 24841656
ethyl 2-(diphenoxyphosphorylamino)acetate
CID 23242085
1-(1-diphenoxyphosphorylethyl)-3-(2-phenylethyl)thiourea
CID 2781520
phenyl N-(2-phenylethyl)carbamate
CID 12632743
benzyl(phenoxy)phosphinic acid
CID 54071062
N-diphenoxyphosphoryl-2-[(2S,3S,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]ethanamine
CID 102325605
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron
CID 139084842
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
CID 2307241

Frequently Asked Questions

What is the IUPAC name of N-diphenoxyphosphoryl-2-phenylethanamine?
The IUPAC name of N-diphenoxyphosphoryl-2-phenylethanamine (CID 26793774) is N-diphenoxyphosphoryl-2-phenylethanamine.
What is the SMILES notation for N-diphenoxyphosphoryl-2-phenylethanamine?
The canonical SMILES for N-diphenoxyphosphoryl-2-phenylethanamine is O=P(NCCc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-diphenoxyphosphoryl-2-phenylethanamine?
The InChIKey is NGWMPMPMUIUZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO3P/c22-25(23-19-12-6-2-7-13-19,24-20-14-8-3-9-15-20)21-17-16-18-10-4-1-5-11-18/h1-15H,16-17H2,(H,21,22).
What are the key properties of N-diphenoxyphosphoryl-2-phenylethanamine?
N-diphenoxyphosphoryl-2-phenylethanamine has a molecular weight of 353.36 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenoxyphosphoryl-2-phenylethanamine is sourced from PubChem (CID 26793774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).