butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one

C25H73N2O6P — CID 161294078

IUPACbutane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one
SMILESC.C.C.C.C.CC(C)=O.CCCC.CCNC.CCOC.CNC(C)=O.COC.CP(C)(=O)O
InChIInChI=1S/C4H10.C3H7NO.C3H9N.C3H8O.C3H6O.C2H7O2P.C2H6O.5CH4/c1-3-4-2;1-3(5)4-2;2*1-3-4-2;1-3(2)4;1-5(2,3)4;1-3-2;;;;;/h3-4H2,1-2H3;1-2H3,(H,4,5);4H,3H2,1-2H3;3H2,1-2H3;1-2H3;1-2H3,(H,3,4);1-2H3;5*1H4
InChIKeyVGSZCMPWVBAIMB-UHFFFAOYSA-N
MW528.84 g/mol
LogP6.99
Rot. Bonds3

About butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one

butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one (PubChem CID 161294078) has the molecular formula C25H73N2O6P and a molecular weight of 528.84 g/mol. Its IUPAC name is butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one.

Molecular Properties

Compound Namebutane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one
PubChem CID161294078
Molecular FormulaC25H73N2O6P
Molecular Weight528.84 g/mol
Exact Mass528.52
IUPAC Namebutane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one
SMILESC.C.C.C.C.CC(C)=O.CCCC.CCNC.CCOC.CNC(C)=O.COC.CP(C)(=O)O
InChIInChI=1S/C4H10.C3H7NO.C3H9N.C3H8O.C3H6O.C2H7O2P.C2H6O.5CH4/c1-3-4-2;1-3(5)4-2;2*1-3-4-2;1-3(2)4;1-5(2,3)4;1-3-2;;;;;/h3-4H2,1-2H3;1-2H3,(H,4,5);4H,3H2,1-2H3;3H2,1-2H3;1-2H3;1-2H3,(H,3,4);1-2H3;5*1H4
InChIKeyVGSZCMPWVBAIMB-UHFFFAOYSA-N
XLogP6.99
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.84
LogP ≤ 56.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butane;ethyl acetate;ethyl N-methylcarbamate;methoxyethane;methoxymethane;1-methoxypropane;N-methylacetamide;methyl acetate;propan-2-one
CID 161489989
methoxyethane;methoxymethane;N-methylethanamine;N-methylmethanamine
CID 158207087
N-methylacetamide;phosphoric acid
CID 174660683
ethane;N-ethylacetamide;methane;methoxymethane;bis(N-methylacetamide);methyl acetate;N-methylformamide;tris(propan-2-one)
CID 160804840
(Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one
CID 162280663
1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine
CID 159986809
ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide
CID 158401112
acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one
CID 157259516
methane;N-methylacetamide
CID 169425645
bis(N-methylacetamide);propan-2-one
CID 158104043
N-methylacetamide;N-propylacetamide
CID 160752156
2-acetamido-N-ethylacetamide;methane;N-(2-methoxyethyl)acetamide;N-methylacetamide
CID 157380702

Frequently Asked Questions

What is the IUPAC name of butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one?
The IUPAC name of butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one (CID 161294078) is butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one.
What is the SMILES notation for butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one?
The canonical SMILES for butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one is C.C.C.C.C.CC(C)=O.CCCC.CCNC.CCOC.CNC(C)=O.COC.CP(C)(=O)O.
What is the InChIKey of butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one?
The InChIKey is VGSZCMPWVBAIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H7NO.C3H9N.C3H8O.C3H6O.C2H7O2P.C2H6O.5CH4/c1-3-4-2;1-3(5)4-2;2*1-3-4-2;1-3(2)4;1-5(2,3)4;1-3-2;;;;;/h3-4H2,1-2H3;1-2H3,(H,4,5);4H,3H2,1-2H3;3H2,1-2H3;1-2H3;1-2H3,(H,3,4);1-2H3;5*1H4.
What are the key properties of butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one?
butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one has a molecular weight of 528.84 g/mol, XLogP of 6.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one is sourced from PubChem (CID 161294078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).