N-methylacetamide;phosphoric acid

C3H10NO5P — CID 174660683

IUPACN-methylacetamide;phosphoric acid
SMILESCNC(C)=O.O=P(O)(O)O
InChIInChI=1S/C3H7NO.H3O4P/c1-3(5)4-2;1-5(2,3)4/h1-2H3,(H,4,5);(H3,1,2,3,4)
InChIKeySDJRGOGDQBXMMW-UHFFFAOYSA-N
MW171.09 g/mol
LogP-1.18
Rot. Bonds

About N-methylacetamide;phosphoric acid

N-methylacetamide;phosphoric acid (PubChem CID 174660683) has the molecular formula C3H10NO5P and a molecular weight of 171.09 g/mol. Its IUPAC name is N-methylacetamide;phosphoric acid.

Molecular Properties

Compound NameN-methylacetamide;phosphoric acid
PubChem CID174660683
Molecular FormulaC3H10NO5P
Molecular Weight171.09 g/mol
Exact Mass171.03
IUPAC NameN-methylacetamide;phosphoric acid
SMILESCNC(C)=O.O=P(O)(O)O
InChIInChI=1S/C3H7NO.H3O4P/c1-3(5)4-2;1-5(2,3)4/h1-2H3,(H,4,5);(H3,1,2,3,4)
InChIKeySDJRGOGDQBXMMW-UHFFFAOYSA-N
XLogP-1.18
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.09
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;N-methylacetamide
CID 169425645
bis(N-methylacetamide);propan-2-one
CID 158104043
CID 159040973
CID 159040973
ethane;methane;N-methylacetamide
CID 159401147
potassium;hydride;N-methylacetamide
CID 173418413
formaldehyde;N-methylacetamide
CID 159490973
methanamine;bis(N-methylacetamide);propan-2-one
CID 157204854
methanol;phosphoric acid;propan-2-one
CID 134563724
CID 131878072
CID 131878072
acetic acid;cobalt;phosphoric acid
CID 174842184
sodium;hydride;phosphoric acid;propan-2-one
CID 175134033
N-methylacetamide;pentane-2,4-dione;bis(propan-2-one)
CID 91069648

Frequently Asked Questions

What is the IUPAC name of N-methylacetamide;phosphoric acid?
The IUPAC name of N-methylacetamide;phosphoric acid (CID 174660683) is N-methylacetamide;phosphoric acid.
What is the SMILES notation for N-methylacetamide;phosphoric acid?
The canonical SMILES for N-methylacetamide;phosphoric acid is CNC(C)=O.O=P(O)(O)O.
What is the InChIKey of N-methylacetamide;phosphoric acid?
The InChIKey is SDJRGOGDQBXMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.H3O4P/c1-3(5)4-2;1-5(2,3)4/h1-2H3,(H,4,5);(H3,1,2,3,4).
What are the key properties of N-methylacetamide;phosphoric acid?
N-methylacetamide;phosphoric acid has a molecular weight of 171.09 g/mol, XLogP of -1.18, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacetamide;phosphoric acid is sourced from PubChem (CID 174660683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).