ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen

C8H18NO6P — CID 144547902

IUPACethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen
SMILESC=COC(=O)NCCOP(=O)(OC)OCC.[H][H]
InChIInChI=1S/C8H16NO6P.H2/c1-4-13-8(10)9-6-7-15-16(11,12-3)14-5-2;/h4H,1,5-7H2,2-3H3,(H,9,10);1H
InChIKeySEWZZOXWVSLUSD-UHFFFAOYSA-N
MW255.21 g/mol
LogP1.91
Rot. Bonds8

About ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen

ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen (PubChem CID 144547902) has the molecular formula C8H18NO6P and a molecular weight of 255.21 g/mol. Its IUPAC name is ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Nameethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen
PubChem CID144547902
Molecular FormulaC8H18NO6P
Molecular Weight255.21 g/mol
Exact Mass255.09
IUPAC Nameethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen
SMILESC=COC(=O)NCCOP(=O)(OC)OCC.[H][H]
InChIInChI=1S/C8H16NO6P.H2/c1-4-13-8(10)9-6-7-15-16(11,12-3)14-5-2;/h4H,1,5-7H2,2-3H3,(H,9,10);1H
InChIKeySEWZZOXWVSLUSD-UHFFFAOYSA-N
XLogP1.91
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
diethyl 4-(prop-2-enoylamino)butyl phosphate
CID 151131859
2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid
CID 155386844
ethenyl N-propylcarbamate;ethenyl 2-trimethylsilylethyl carbonate
CID 174958071
ethenyl 3-(ethenoxycarbonylamino)propanoate
CID 87997576
diethyl 2-methoxyethyl phosphate
CID 547489
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
4-oxo-4-[2-[prop-2-enoxy(propoxy)phosphoryl]oxyethylamino]butanoic acid
CID 58841977
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate
CID 174941326
ethenyl N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]carbamate
CID 87161549

Frequently Asked Questions

What is the IUPAC name of ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen?
The IUPAC name of ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen (CID 144547902) is ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen.
What is the SMILES notation for ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen?
The canonical SMILES for ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen is C=COC(=O)NCCOP(=O)(OC)OCC.[H][H].
What is the InChIKey of ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen?
The InChIKey is SEWZZOXWVSLUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO6P.H2/c1-4-13-8(10)9-6-7-15-16(11,12-3)14-5-2;/h4H,1,5-7H2,2-3H3,(H,9,10);1H.
What are the key properties of ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen?
ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen has a molecular weight of 255.21 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen is sourced from PubChem (CID 144547902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).