butoxy-N-propan-2-ylphosphonamidic acid

C7H18NO3P — CID 146414796

IUPACbutoxy-N-propan-2-ylphosphonamidic acid
SMILESCCCCOP(=O)(O)NC(C)C
InChIInChI=1S/C7H18NO3P/c1-4-5-6-11-12(9,10)8-7(2)3/h7H,4-6H2,1-3H3,(H2,8,9,10)
InChIKeyOIZCGHGQBWVKQU-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.90
Rot. Bonds6

About butoxy-N-propan-2-ylphosphonamidic acid

butoxy-N-propan-2-ylphosphonamidic acid (PubChem CID 146414796) has the molecular formula C7H18NO3P and a molecular weight of 195.20 g/mol. Its IUPAC name is butoxy-N-propan-2-ylphosphonamidic acid.

Molecular Properties

Compound Namebutoxy-N-propan-2-ylphosphonamidic acid
PubChem CID146414796
Molecular FormulaC7H18NO3P
Molecular Weight195.20 g/mol
Exact Mass195.10
IUPAC Namebutoxy-N-propan-2-ylphosphonamidic acid
SMILESCCCCOP(=O)(O)NC(C)C
InChIInChI=1S/C7H18NO3P/c1-4-5-6-11-12(9,10)8-7(2)3/h7H,4-6H2,1-3H3,(H2,8,9,10)
InChIKeyOIZCGHGQBWVKQU-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid
CID 146414788
dibutyl hydrogen phosphate
CID 158586372
dibutyl phosphate;tetramethylphosphanium
CID 87474476
azane;butyl dihydrogen phosphate
CID 173333807
butyl 3-hydroxybutyl hydrogen phosphate
CID 71322607
(2S)-2-(dibutoxyphosphorylamino)propanoic acid
CID 71351909
butoxy(ethyl)phosphinic acid
CID 71353007
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
dibutoxyphosphorylmethanediol
CID 87672065
butyl heptyl hydrogen phosphate
CID 86151412

Frequently Asked Questions

What is the IUPAC name of butoxy-N-propan-2-ylphosphonamidic acid?
The IUPAC name of butoxy-N-propan-2-ylphosphonamidic acid (CID 146414796) is butoxy-N-propan-2-ylphosphonamidic acid.
What is the SMILES notation for butoxy-N-propan-2-ylphosphonamidic acid?
The canonical SMILES for butoxy-N-propan-2-ylphosphonamidic acid is CCCCOP(=O)(O)NC(C)C.
What is the InChIKey of butoxy-N-propan-2-ylphosphonamidic acid?
The InChIKey is OIZCGHGQBWVKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO3P/c1-4-5-6-11-12(9,10)8-7(2)3/h7H,4-6H2,1-3H3,(H2,8,9,10).
What are the key properties of butoxy-N-propan-2-ylphosphonamidic acid?
butoxy-N-propan-2-ylphosphonamidic acid has a molecular weight of 195.20 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-N-propan-2-ylphosphonamidic acid is sourced from PubChem (CID 146414796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).