1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate

C14H30N2O11P2 — CID 23399697

IUPAC1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate
SMILESCOP(=O)(OC)OCCOCCOP(=O)(OC)OC(CNC(C)=O)CNC(C)=O
InChIInChI=1S/C14H30N2O11P2/c1-12(17)15-10-14(11-16-13(2)18)27-29(20,23-5)26-9-7-24-6-8-25-28(19,21-3)22-4/h14H,6-11H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyRVZFLCNDGRGOTL-UHFFFAOYSA-N
MW464.35 g/mol
LogP0.85
Rot. Bonds17

About 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate

1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate (PubChem CID 23399697) has the molecular formula C14H30N2O11P2 and a molecular weight of 464.35 g/mol. Its IUPAC name is 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate.

Molecular Properties

Compound Name1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate
PubChem CID23399697
Molecular FormulaC14H30N2O11P2
Molecular Weight464.35 g/mol
Exact Mass464.13
IUPAC Name1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate
SMILESCOP(=O)(OC)OCCOCCOP(=O)(OC)OC(CNC(C)=O)CNC(C)=O
InChIInChI=1S/C14H30N2O11P2/c1-12(17)15-10-14(11-16-13(2)18)27-29(20,23-5)26-9-7-24-6-8-25-28(19,21-3)22-4/h14H,6-11H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyRVZFLCNDGRGOTL-UHFFFAOYSA-N
XLogP0.85
TPSA156.95 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate 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-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane
CID 156747378
2-[2-(2-aminoethoxy)ethoxy]ethyl dimethyl phosphate
CID 147848914
6-acetamidohexyl methyl propan-2-yl phosphate;ethane;molecular hydrogen
CID 168888477
1,3-bis(octadecanoylamino)propan-2-yl 2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 87267769
2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] phosphate
CID 101216646
2-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxy-methoxyphosphoryl]oxyethyl-trimethylazanium
CID 147748302
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate
CID 121405453
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846

Frequently Asked Questions

What is the IUPAC name of 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate?
The IUPAC name of 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate (CID 23399697) is 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate.
What is the SMILES notation for 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate?
The canonical SMILES for 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate is COP(=O)(OC)OCCOCCOP(=O)(OC)OC(CNC(C)=O)CNC(C)=O.
What is the InChIKey of 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate?
The InChIKey is RVZFLCNDGRGOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O11P2/c1-12(17)15-10-14(11-16-13(2)18)27-29(20,23-5)26-9-7-24-6-8-25-28(19,21-3)22-4/h14H,6-11H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate?
1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate has a molecular weight of 464.35 g/mol, XLogP of 0.85, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate is sourced from PubChem (CID 23399697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).