methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate

C17H28NO5P — CID 164681533

IUPACmethyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate
SMILESCCOP(=O)(NCC(=O)OC)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H28NO5P/c1-7-22-24(20,18-11-16(19)21-6)23-17-14(12(2)3)9-8-10-15(17)13(4)5/h8-10,12-13H,7,11H2,1-6H3,(H,18,20)
InChIKeyMPKIHPRPYIXXRT-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.22
Rot. Bonds9

About methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate

methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate (PubChem CID 164681533) has the molecular formula C17H28NO5P and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate
PubChem CID164681533
Molecular FormulaC17H28NO5P
Molecular Weight357.39 g/mol
Exact Mass357.17
IUPAC Namemethyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate
SMILESCCOP(=O)(NCC(=O)OC)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H28NO5P/c1-7-22-24(20,18-11-16(19)21-6)23-17-14(12(2)3)9-8-10-15(17)13(4)5/h8-10,12-13H,7,11H2,1-6H3,(H,18,20)
InChIKeyMPKIHPRPYIXXRT-UHFFFAOYSA-N
XLogP4.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.22
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-[[[2,6-di(propan-2-yl)phenoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
CID 118909709
ethyl 3-[[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]propanoate
CID 158124555
2-[[[2-(1-cyclopropylethyl)-6-propan-2-ylphenoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]amino]butanoic acid
CID 118899043
methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate
CID 162651561
2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene
CID 14943982
tris(bis[2,6-di(propan-2-yl)phenyl] phosphate);methanol;neodymium(3+)
CID 139062681
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
(3R)-2-[[[2,6-di(propan-2-yl)phenoxy]-(methoxymethyl)phosphoryl]amino]-2,3-dimethylpentanoic acid
CID 174884539
2-[[[2,6-di(propan-2-yl)phenoxy]-(hydroxymethyl)phosphoryl]amino]-2-methylbutanoic acid
CID 174885101
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethoxyphosphinate
CID 86746778
(2S)-2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]-pentan-3-ylamino]-3-phenylpropanoic acid
CID 163214461
ethyl 2-(diphenoxyphosphorylamino)acetate
CID 23242085

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate?
The IUPAC name of methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate (CID 164681533) is methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate.
What is the SMILES notation for methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate?
The canonical SMILES for methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate is CCOP(=O)(NCC(=O)OC)Oc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate?
The InChIKey is MPKIHPRPYIXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28NO5P/c1-7-22-24(20,18-11-16(19)21-6)23-17-14(12(2)3)9-8-10-15(17)13(4)5/h8-10,12-13H,7,11H2,1-6H3,(H,18,20).
What are the key properties of methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate?
methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate has a molecular weight of 357.39 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate is sourced from PubChem (CID 164681533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).