(E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide

C15H20N2O — CID 146641197

IUPAC(E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide
SMILESC/N=C(\C=C(/C)C(=O)NC)Cc1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-11-5-7-13(8-6-11)10-14(16-3)9-12(2)15(18)17-4/h5-9H,10H2,1-4H3,(H,17,18)/b12-9+,16-14+
InChIKeyDXEJAOVZJDGLIT-KDKDSYKCSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds4

About (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide

(E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide (PubChem CID 146641197) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide
PubChem CID146641197
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide
SMILESC/N=C(\C=C(/C)C(=O)NC)Cc1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-11-5-7-13(8-6-11)10-14(16-3)9-12(2)15(18)17-4/h5-9H,10H2,1-4H3,(H,17,18)/b12-9+,16-14+
InChIKeyDXEJAOVZJDGLIT-KDKDSYKCSA-N
XLogP2.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide?
The IUPAC name of (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide (CID 146641197) is (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide.
What is the SMILES notation for (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide?
The canonical SMILES for (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide is C/N=C(\C=C(/C)C(=O)NC)Cc1ccc(C)cc1.
What is the InChIKey of (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide?
The InChIKey is DXEJAOVZJDGLIT-KDKDSYKCSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-7-13(8-6-11)10-14(16-3)9-12(2)15(18)17-4/h5-9H,10H2,1-4H3,(H,17,18)/b12-9+,16-14+.
What are the key properties of (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide?
(E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide has a molecular weight of 244.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide is sourced from PubChem (CID 146641197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).