2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate

C11H24NO6P — CID 176600894

IUPAC2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OCCOCCNC(=O)C(C)C
InChIInChI=1S/C11H24NO6P/c1-9(2)11(13)12-5-6-16-7-8-17-19(14,15)18-10(3)4/h9-10H,5-8H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyLAYQNUYSBKLJCB-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.32
Rot. Bonds10

About 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate

2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate (PubChem CID 176600894) has the molecular formula C11H24NO6P and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate.

Molecular Properties

Compound Name2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate
PubChem CID176600894
Molecular FormulaC11H24NO6P
Molecular Weight297.29 g/mol
Exact Mass297.13
IUPAC Name2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OCCOCCNC(=O)C(C)C
InChIInChI=1S/C11H24NO6P/c1-9(2)11(13)12-5-6-16-7-8-17-19(14,15)18-10(3)4/h9-10H,5-8H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyLAYQNUYSBKLJCB-UHFFFAOYSA-N
XLogP1.32
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 168833294
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155402187
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 138727149
2-methyl-N-[2-[2-[2-[2-[2-(5-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167576629
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate?
The IUPAC name of 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate (CID 176600894) is 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate.
What is the SMILES notation for 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate?
The canonical SMILES for 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate is CC(C)OP(=O)(O)OCCOCCNC(=O)C(C)C.
What is the InChIKey of 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate?
The InChIKey is LAYQNUYSBKLJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO6P/c1-9(2)11(13)12-5-6-16-7-8-17-19(14,15)18-10(3)4/h9-10H,5-8H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate?
2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate has a molecular weight of 297.29 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate is sourced from PubChem (CID 176600894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).