(Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide

C15H19NO — CID 90679167

IUPAC(Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C(C)=C(/C)c1ccc(C)cc1
InChIInChI=1S/C15H19NO/c1-5-10-16-15(17)13(4)12(3)14-8-6-11(2)7-9-14/h5-9H,1,10H2,2-4H3,(H,16,17)/b13-12-
InChIKeyUSSPLFGFHXEMPX-SEYXRHQNSA-N
MW229.32 g/mol
LogP3.09
Rot. Bonds4

About (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide

(Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide (PubChem CID 90679167) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide
PubChem CID90679167
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C(C)=C(/C)c1ccc(C)cc1
InChIInChI=1S/C15H19NO/c1-5-10-16-15(17)13(4)12(3)14-8-6-11(2)7-9-14/h5-9H,1,10H2,2-4H3,(H,16,17)/b13-12-
InChIKeyUSSPLFGFHXEMPX-SEYXRHQNSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide?
The IUPAC name of (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide (CID 90679167) is (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide?
The canonical SMILES for (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide is C=CCNC(=O)/C(C)=C(/C)c1ccc(C)cc1.
What is the InChIKey of (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide?
The InChIKey is USSPLFGFHXEMPX-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-10-16-15(17)13(4)12(3)14-8-6-11(2)7-9-14/h5-9H,1,10H2,2-4H3,(H,16,17)/b13-12-.
What are the key properties of (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide?
(Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide has a molecular weight of 229.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-(4-methylphenyl)-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 90679167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).