ethyl 2-(diphenoxyphosphorylamino)acetate

C16H18NO5P — CID 23242085

IUPACethyl 2-(diphenoxyphosphorylamino)acetate
SMILESCCOC(=O)CNP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18NO5P/c1-2-20-16(18)13-17-23(19,21-14-9-5-3-6-10-14)22-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,17,19)
InChIKeyMUJLKJPZJICCLC-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.41
Rot. Bonds8

About ethyl 2-(diphenoxyphosphorylamino)acetate

ethyl 2-(diphenoxyphosphorylamino)acetate (PubChem CID 23242085) has the molecular formula C16H18NO5P and a molecular weight of 335.30 g/mol. Its IUPAC name is ethyl 2-(diphenoxyphosphorylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(diphenoxyphosphorylamino)acetate
PubChem CID23242085
Molecular FormulaC16H18NO5P
Molecular Weight335.30 g/mol
Exact Mass335.09
IUPAC Nameethyl 2-(diphenoxyphosphorylamino)acetate
SMILESCCOC(=O)CNP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18NO5P/c1-2-20-16(18)13-17-23(19,21-14-9-5-3-6-10-14)22-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,17,19)
InChIKeyMUJLKJPZJICCLC-UHFFFAOYSA-N
XLogP3.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate
CID 156841904
ethyl 2-[[3-(methylamino)propyl-phenoxyphosphoryl]amino]acetate
CID 71216005
propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate
CID 138502301
ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
CID 162736864
ethyl 2-(dibenzylphosphinothioylamino)acetate
CID 13241842
cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
CID 126605489
propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate
CID 169218939
[4-[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxyphenyl]-hydroxy-methylideneazanium
CID 157191496
[[(2-ethoxy-2-oxoethyl)amino]-hydroxymethyl]-phenylperoxyphosphinic acid
CID 54030377
4-(diphenoxyphosphorylamino)butanoic acid
CID 164912358
sodium;1-O-ethyl 3-O-phenyl propanedioate;hydride
CID 175262999
ethyl 2-[[[2,6-di(propan-2-yl)phenoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
CID 118909709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diphenoxyphosphorylamino)acetate?
The IUPAC name of ethyl 2-(diphenoxyphosphorylamino)acetate (CID 23242085) is ethyl 2-(diphenoxyphosphorylamino)acetate.
What is the SMILES notation for ethyl 2-(diphenoxyphosphorylamino)acetate?
The canonical SMILES for ethyl 2-(diphenoxyphosphorylamino)acetate is CCOC(=O)CNP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of ethyl 2-(diphenoxyphosphorylamino)acetate?
The InChIKey is MUJLKJPZJICCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO5P/c1-2-20-16(18)13-17-23(19,21-14-9-5-3-6-10-14)22-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,17,19).
What are the key properties of ethyl 2-(diphenoxyphosphorylamino)acetate?
ethyl 2-(diphenoxyphosphorylamino)acetate has a molecular weight of 335.30 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diphenoxyphosphorylamino)acetate is sourced from PubChem (CID 23242085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).