3-formamidopropyl dimethyl phosphate

C6H14NO5P — CID 143134833

IUPAC3-formamidopropyl dimethyl phosphate
SMILESCOP(=O)(OC)OCCCNC=O
InChIInChI=1S/C6H14NO5P/c1-10-13(9,11-2)12-5-3-4-7-6-8/h6H,3-5H2,1-2H3,(H,7,8)
InChIKeyWDSULFDOFUDZDH-UHFFFAOYSA-N
MW211.15 g/mol
LogP0.54
Rot. Bonds8

About 3-formamidopropyl dimethyl phosphate

3-formamidopropyl dimethyl phosphate (PubChem CID 143134833) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is 3-formamidopropyl dimethyl phosphate.

Molecular Properties

Compound Name3-formamidopropyl dimethyl phosphate
PubChem CID143134833
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name3-formamidopropyl dimethyl phosphate
SMILESCOP(=O)(OC)OCCCNC=O
InChIInChI=1S/C6H14NO5P/c1-10-13(9,11-2)12-5-3-4-7-6-8/h6H,3-5H2,1-2H3,(H,7,8)
InChIKeyWDSULFDOFUDZDH-UHFFFAOYSA-N
XLogP0.54
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropyl dimethyl phosphate
CID 156628564
dimethyl 3-sulfanylpropyl phosphate
CID 88756184
N-[3-(difluoromethoxy)propyl]formamide
CID 130901466
dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate
CID 146177362
2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate
CID 144571535
N-[3-[2-(methylamino)ethoxy]propyl]formamide
CID 171561109
N-(2-methoxyethyl)formamide;sulfuric acid
CID 161274600
N-(3-ethenoxypropyl)formamide
CID 15193671
N-(3-trimethoxysilylpropyl)formamide
CID 14388644
N-[3-(4-methylpentoxy)propyl]formamide
CID 167156422
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
N-[(Z)-5-methoxypent-4-enyl]formamide
CID 55299342

Frequently Asked Questions

What is the IUPAC name of 3-formamidopropyl dimethyl phosphate?
The IUPAC name of 3-formamidopropyl dimethyl phosphate (CID 143134833) is 3-formamidopropyl dimethyl phosphate.
What is the SMILES notation for 3-formamidopropyl dimethyl phosphate?
The canonical SMILES for 3-formamidopropyl dimethyl phosphate is COP(=O)(OC)OCCCNC=O.
What is the InChIKey of 3-formamidopropyl dimethyl phosphate?
The InChIKey is WDSULFDOFUDZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-10-13(9,11-2)12-5-3-4-7-6-8/h6H,3-5H2,1-2H3,(H,7,8).
What are the key properties of 3-formamidopropyl dimethyl phosphate?
3-formamidopropyl dimethyl phosphate has a molecular weight of 211.15 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamidopropyl dimethyl phosphate is sourced from PubChem (CID 143134833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).