methane;tris(N-methylacetamide);N-methylformamide

C12H30N4O4 — CID 158395174

IUPACmethane;tris(N-methylacetamide);N-methylformamide
SMILESC.CNC(C)=O.CNC(C)=O.CNC(C)=O.CNC=O
InChIInChI=1S/3C3H7NO.C2H5NO.CH4/c3*1-3(5)4-2;1-3-2-4;/h3*1-2H3,(H,4,5);2H,1H3,(H,3,4);1H4
InChIKeyGXLPXDWKFKHJJV-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.74
Rot. Bonds1

About methane;tris(N-methylacetamide);N-methylformamide

methane;tris(N-methylacetamide);N-methylformamide (PubChem CID 158395174) has the molecular formula C12H30N4O4 and a molecular weight of 294.40 g/mol. Its IUPAC name is methane;tris(N-methylacetamide);N-methylformamide.

Molecular Properties

Compound Namemethane;tris(N-methylacetamide);N-methylformamide
PubChem CID158395174
Molecular FormulaC12H30N4O4
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Namemethane;tris(N-methylacetamide);N-methylformamide
SMILESC.CNC(C)=O.CNC(C)=O.CNC(C)=O.CNC=O
InChIInChI=1S/3C3H7NO.C2H5NO.CH4/c3*1-3(5)4-2;1-3-2-4;/h3*1-2H3,(H,4,5);2H,1H3,(H,3,4);1H4
InChIKeyGXLPXDWKFKHJJV-UHFFFAOYSA-N
XLogP-0.74
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;N-methylacetamide
CID 169425645
ethane;methane;N-methylacetamide
CID 159401147
carbonic acid;N-methylformamide
CID 159780835
CID 159040973
CID 159040973
bis(N-methylacetamide);propan-2-one
CID 158104043
ethane;N-ethylacetamide;methane;methoxymethane;bis(N-methylacetamide);methyl acetate;N-methylformamide;tris(propan-2-one)
CID 160804840
formaldehyde;N-methylacetamide
CID 159490973
potassium;hydride;N-methylacetamide
CID 173418413
N-methylformamide;titanium
CID 175536868
methanamine;bis(N-methylacetamide);propan-2-one
CID 157204854
N-methylacetamide;phosphoric acid
CID 174660683
ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide
CID 158401112

Frequently Asked Questions

What is the IUPAC name of methane;tris(N-methylacetamide);N-methylformamide?
The IUPAC name of methane;tris(N-methylacetamide);N-methylformamide (CID 158395174) is methane;tris(N-methylacetamide);N-methylformamide.
What is the SMILES notation for methane;tris(N-methylacetamide);N-methylformamide?
The canonical SMILES for methane;tris(N-methylacetamide);N-methylformamide is C.CNC(C)=O.CNC(C)=O.CNC(C)=O.CNC=O.
What is the InChIKey of methane;tris(N-methylacetamide);N-methylformamide?
The InChIKey is GXLPXDWKFKHJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7NO.C2H5NO.CH4/c3*1-3(5)4-2;1-3-2-4;/h3*1-2H3,(H,4,5);2H,1H3,(H,3,4);1H4.
What are the key properties of methane;tris(N-methylacetamide);N-methylformamide?
methane;tris(N-methylacetamide);N-methylformamide has a molecular weight of 294.40 g/mol, XLogP of -0.74, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tris(N-methylacetamide);N-methylformamide is sourced from PubChem (CID 158395174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).