2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate

C17H33N2O5P — CID 174905152

IUPAC2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCCCCCOP(=O)(CC)CC
InChIInChI=1S/C17H33N2O5P/c1-5-25(22,6-2)24-13-10-8-7-9-11-18-17(21)19-12-14-23-16(20)15(3)4/h3,5-14H2,1-2,4H3,(H2,18,19,21)
InChIKeyIGMQNHNUGSYKNF-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.30
Rot. Bonds14

About 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate

2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 174905152) has the molecular formula C17H33N2O5P and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate
PubChem CID174905152
Molecular FormulaC17H33N2O5P
Molecular Weight376.43 g/mol
Exact Mass376.21
IUPAC Name2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCCCCCOP(=O)(CC)CC
InChIInChI=1S/C17H33N2O5P/c1-5-25(22,6-2)24-13-10-8-7-9-11-18-17(21)19-12-14-23-16(20)15(3)4/h3,5-14H2,1-2,4H3,(H2,18,19,21)
InChIKeyIGMQNHNUGSYKNF-UHFFFAOYSA-N
XLogP3.30
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[17-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]-4-oxoheptadecyl] 2-methylprop-2-enoate
CID 161284474
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 158258560
3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
CID 169159810
methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
CID 164973932
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500
calcium 6-(2-methylprop-2-enoyloxy)hexyl phosphate
CID 122612776
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
18-dihydroxyphosphinothioyloxyoctadecyl 2-methylprop-2-enoate
CID 22708493

Frequently Asked Questions

What is the IUPAC name of 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate (CID 174905152) is 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCCCCCCOP(=O)(CC)CC.
What is the InChIKey of 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is IGMQNHNUGSYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2O5P/c1-5-25(22,6-2)24-13-10-8-7-9-11-18-17(21)19-12-14-23-16(20)15(3)4/h3,5-14H2,1-2,4H3,(H2,18,19,21).
What are the key properties of 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate?
2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 376.43 g/mol, XLogP of 3.30, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 174905152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).