(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide

C15H19NO3 — CID 162138067

IUPAC(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide
SMILESC=C(C)C(=O)Oc1c(C)cccc1C.C=CC(N)=O
InChIInChI=1S/C12H14O2.C3H5NO/c1-8(2)12(13)14-11-9(3)6-5-7-10(11)4;1-2-3(4)5/h5-7H,1H2,2-4H3;2H,1H2,(H2,4,5)
InChIKeyZJOAPTUYPYSJEQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.44
Rot. Bonds3

About (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide

(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide (PubChem CID 162138067) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide.

Molecular Properties

Compound Name(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide
PubChem CID162138067
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide
SMILESC=C(C)C(=O)Oc1c(C)cccc1C.C=CC(N)=O
InChIInChI=1S/C12H14O2.C3H5NO/c1-8(2)12(13)14-11-9(3)6-5-7-10(11)4;1-2-3(4)5/h5-7H,1H2,2-4H3;2H,1H2,(H2,4,5)
InChIKeyZJOAPTUYPYSJEQ-UHFFFAOYSA-N
XLogP2.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide?
The IUPAC name of (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide (CID 162138067) is (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide.
What is the SMILES notation for (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide?
The canonical SMILES for (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide is C=C(C)C(=O)Oc1c(C)cccc1C.C=CC(N)=O.
What is the InChIKey of (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide?
The InChIKey is ZJOAPTUYPYSJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C3H5NO/c1-8(2)12(13)14-11-9(3)6-5-7-10(11)4;1-2-3(4)5/h5-7H,1H2,2-4H3;2H,1H2,(H2,4,5).
What are the key properties of (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide?
(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide is sourced from PubChem (CID 162138067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).