butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid

C10H24NO4P — CID 88738432

IUPACbutane;[2-(diethylamino)-2-oxoethyl]phosphonic acid
SMILESCCCC.CCN(CC)C(=O)CP(=O)(O)O
InChIInChI=1S/C6H14NO4P.C4H10/c1-3-7(4-2)6(8)5-12(9,10)11;1-3-4-2/h3-5H2,1-2H3,(H2,9,10,11);3-4H2,1-2H3
InChIKeyLFNVJSWSJRACCR-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.84
Rot. Bonds5

About butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid

butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid (PubChem CID 88738432) has the molecular formula C10H24NO4P and a molecular weight of 253.28 g/mol. Its IUPAC name is butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Namebutane;[2-(diethylamino)-2-oxoethyl]phosphonic acid
PubChem CID88738432
Molecular FormulaC10H24NO4P
Molecular Weight253.28 g/mol
Exact Mass253.14
IUPAC Namebutane;[2-(diethylamino)-2-oxoethyl]phosphonic acid
SMILESCCCC.CCN(CC)C(=O)CP(=O)(O)O
InChIInChI=1S/C6H14NO4P.C4H10/c1-3-7(4-2)6(8)5-12(9,10)11;1-3-4-2/h3-5H2,1-2H3,(H2,9,10,11);3-4H2,1-2H3
InChIKeyLFNVJSWSJRACCR-UHFFFAOYSA-N
XLogP1.84
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride
CID 173171688
[2-(dipropylamino)-2-oxoethyl]phosphonic acid
CID 19906185
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843
[2-(diethylamino)-2-oxoethyl] dihydrogen phosphate
CID 21278716
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
[(3R)-3-fluoro-2-oxoheptyl]phosphonic acid
CID 88645077
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701

Frequently Asked Questions

What is the IUPAC name of butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid?
The IUPAC name of butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid (CID 88738432) is butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid.
What is the SMILES notation for butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid?
The canonical SMILES for butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid is CCCC.CCN(CC)C(=O)CP(=O)(O)O.
What is the InChIKey of butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid?
The InChIKey is LFNVJSWSJRACCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P.C4H10/c1-3-7(4-2)6(8)5-12(9,10)11;1-3-4-2/h3-5H2,1-2H3,(H2,9,10,11);3-4H2,1-2H3.
What are the key properties of butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid?
butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid has a molecular weight of 253.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 88738432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).