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

C16H20N2O6 — CID 161166045

IUPACbis(2-methylprop-2-enamide);phthalic acid
SMILESC=C(C)C(N)=O.C=C(C)C(N)=O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.2C4H7NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-3(2)4(5)6/h1-4H,(H,9,10)(H,11,12);2*1H2,2H3,(H2,5,6)
InChIKeyUQNXTHJBAWFMPZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.18
Rot. Bonds4

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

bis(2-methylprop-2-enamide);phthalic acid (PubChem CID 161166045) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is bis(2-methylprop-2-enamide);phthalic acid.

Molecular Properties

Compound Namebis(2-methylprop-2-enamide);phthalic acid
PubChem CID161166045
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Namebis(2-methylprop-2-enamide);phthalic acid
SMILESC=C(C)C(N)=O.C=C(C)C(N)=O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.2C4H7NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-3(2)4(5)6/h1-4H,(H,9,10)(H,11,12);2*1H2,2H3,(H2,5,6)
InChIKeyUQNXTHJBAWFMPZ-UHFFFAOYSA-N
XLogP1.18
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxyethenyl)benzoic acid
CID 157143248
formaldehyde;phthalic acid
CID 174659618
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
2-carbamoylbenzoic acid;1,1-dichloroethene
CID 175332262
bis(butane-1,4-diol);bis(2-methylprop-2-enoic acid);phthalic acid
CID 161076356
phthalic acid;prop-2-enamide
CID 89485931
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
CID 174469049
CID 174469049
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
dilithium;hydride;phthalic acid
CID 173011412

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enamide);phthalic acid?
The IUPAC name of bis(2-methylprop-2-enamide);phthalic acid (CID 161166045) is bis(2-methylprop-2-enamide);phthalic acid.
What is the SMILES notation for bis(2-methylprop-2-enamide);phthalic acid?
The canonical SMILES for bis(2-methylprop-2-enamide);phthalic acid is C=C(C)C(N)=O.C=C(C)C(N)=O.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of bis(2-methylprop-2-enamide);phthalic acid?
The InChIKey is UQNXTHJBAWFMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2C4H7NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-3(2)4(5)6/h1-4H,(H,9,10)(H,11,12);2*1H2,2H3,(H2,5,6).
What are the key properties of bis(2-methylprop-2-enamide);phthalic acid?
bis(2-methylprop-2-enamide);phthalic acid has a molecular weight of 336.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enamide);phthalic acid is sourced from PubChem (CID 161166045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).