carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine

C9H23N2O4P — CID 173456241

IUPACcarbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.CCOP(=O)(O)C(N)=O
InChIInChI=1S/C6H15N.C3H8NO4P/c1-4-7(5-2)6-3;1-2-8-9(6,7)3(4)5/h4-6H2,1-3H3;2H2,1H3,(H2,4,5)(H,6,7)
InChIKeyXRCSOQJQWGJHRP-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.64
Rot. Bonds6

About carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine

carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine (PubChem CID 173456241) has the molecular formula C9H23N2O4P and a molecular weight of 254.27 g/mol. Its IUPAC name is carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine.

Molecular Properties

Compound Namecarbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
PubChem CID173456241
Molecular FormulaC9H23N2O4P
Molecular Weight254.27 g/mol
Exact Mass254.14
IUPAC Namecarbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.CCOP(=O)(O)C(N)=O
InChIInChI=1S/C6H15N.C3H8NO4P/c1-4-7(5-2)6-3;1-2-8-9(6,7)3(4)5/h4-6H2,1-3H3;2H2,1H3,(H2,4,5)(H,6,7)
InChIKeyXRCSOQJQWGJHRP-UHFFFAOYSA-N
XLogP1.64
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;carbamoyl(ethoxy)phosphinic acid
CID 12877611
barium(2+);carbamoyl(ethoxy)phosphinate;carbamoyl(ethoxy)phosphinic acid
CID 172741294
diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
CID 173276202
[ethoxy(methyl)phosphoryl]formamide
CID 174260075
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
N,N-diethylethanamine;fluorophosphonic acid
CID 173141880
CID 87495286
CID 87495286
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate
CID 173456268

Frequently Asked Questions

What is the IUPAC name of carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine?
The IUPAC name of carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine (CID 173456241) is carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine.
What is the SMILES notation for carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine?
The canonical SMILES for carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine is CCN(CC)CC.CCOP(=O)(O)C(N)=O.
What is the InChIKey of carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine?
The InChIKey is XRCSOQJQWGJHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H8NO4P/c1-4-7(5-2)6-3;1-2-8-9(6,7)3(4)5/h4-6H2,1-3H3;2H2,1H3,(H2,4,5)(H,6,7).
What are the key properties of carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine?
carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine has a molecular weight of 254.27 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine is sourced from PubChem (CID 173456241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).