bis(2-methylprop-2-enamide);phosphoric acid

C8H17N2O6P — CID 87675275

IUPACbis(2-methylprop-2-enamide);phosphoric acid
SMILESC=C(C)C(N)=O.C=C(C)C(N)=O.O=P(O)(O)O
InChIInChI=1S/2C4H7NO.H3O4P/c2*1-3(2)4(5)6;1-5(2,3)4/h2*1H2,2H3,(H2,5,6);(H3,1,2,3,4)
InChIKeyDPDALVYGIWYRPX-UHFFFAOYSA-N
MW268.21 g/mol
LogP-0.83
Rot. Bonds2

About bis(2-methylprop-2-enamide);phosphoric acid

bis(2-methylprop-2-enamide);phosphoric acid (PubChem CID 87675275) has the molecular formula C8H17N2O6P and a molecular weight of 268.21 g/mol. Its IUPAC name is bis(2-methylprop-2-enamide);phosphoric acid.

Molecular Properties

Compound Namebis(2-methylprop-2-enamide);phosphoric acid
PubChem CID87675275
Molecular FormulaC8H17N2O6P
Molecular Weight268.21 g/mol
Exact Mass268.08
IUPAC Namebis(2-methylprop-2-enamide);phosphoric acid
SMILESC=C(C)C(N)=O.C=C(C)C(N)=O.O=P(O)(O)O
InChIInChI=1S/2C4H7NO.H3O4P/c2*1-3(2)4(5)6;1-5(2,3)4/h2*1H2,2H3,(H2,5,6);(H3,1,2,3,4)
InChIKeyDPDALVYGIWYRPX-UHFFFAOYSA-N
XLogP-0.83
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(2-methylprop-2-enamide);phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylprop-2-enamide;hydrate
CID 88749193
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
methanol;2-methylprop-2-enoic acid;phosphoric acid
CID 163792236
sodium;2-methylprop-2-enamide;propane
CID 159451329
ethenol;2-methylprop-2-enamide
CID 87880771
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
methanol;phosphoric acid;propan-2-one
CID 134563724

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enamide);phosphoric acid?
The IUPAC name of bis(2-methylprop-2-enamide);phosphoric acid (CID 87675275) is bis(2-methylprop-2-enamide);phosphoric acid.
What is the SMILES notation for bis(2-methylprop-2-enamide);phosphoric acid?
The canonical SMILES for bis(2-methylprop-2-enamide);phosphoric acid is C=C(C)C(N)=O.C=C(C)C(N)=O.O=P(O)(O)O.
What is the InChIKey of bis(2-methylprop-2-enamide);phosphoric acid?
The InChIKey is DPDALVYGIWYRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO.H3O4P/c2*1-3(2)4(5)6;1-5(2,3)4/h2*1H2,2H3,(H2,5,6);(H3,1,2,3,4).
What are the key properties of bis(2-methylprop-2-enamide);phosphoric acid?
bis(2-methylprop-2-enamide);phosphoric acid has a molecular weight of 268.21 g/mol, XLogP of -0.83, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enamide);phosphoric acid is sourced from PubChem (CID 87675275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).