2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide

C17H24N2O3 — CID 155454680

IUPAC2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C/C=C/CN(CC=C)C(=O)C(C)=O)C(=O)C(=C)C
InChIInChI=1S/C17H24N2O3/c1-6-10-18(16(21)14(3)4)12-8-9-13-19(11-7-2)17(22)15(5)20/h6-9H,1-3,10-13H2,4-5H3/b9-8+
InChIKeyAXQCOCSXLBQENO-CMDGGOBGSA-N
MW304.39 g/mol
LogP1.74
Rot. Bonds10

About 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide

2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide (PubChem CID 155454680) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
PubChem CID155454680
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C/C=C/CN(CC=C)C(=O)C(C)=O)C(=O)C(=C)C
InChIInChI=1S/C17H24N2O3/c1-6-10-18(16(21)14(3)4)12-8-9-13-19(11-7-2)17(22)15(5)20/h6-9H,1-3,10-13H2,4-5H3/b9-8+
InChIKeyAXQCOCSXLBQENO-CMDGGOBGSA-N
XLogP1.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide (CID 155454680) is 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide is C=CCN(C/C=C/CN(CC=C)C(=O)C(C)=O)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is AXQCOCSXLBQENO-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-6-10-18(16(21)14(3)4)12-8-9-13-19(11-7-2)17(22)15(5)20/h6-9H,1-3,10-13H2,4-5H3/b9-8+.
What are the key properties of 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide?
2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 304.39 g/mol, XLogP of 1.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 155454680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).