(E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide

C18H20N2O2 — CID 46585283

IUPAC(E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ncccc1CNC(=O)/C=C/c1ccc(C)cc1C
InChIInChI=1S/C18H20N2O2/c1-13-6-7-15(14(2)11-13)8-9-17(21)20-12-16-5-4-10-19-18(16)22-3/h4-11H,12H2,1-3H3,(H,20,21)/b9-8+
InChIKeyIJBDUYQKTRNYLN-CMDGGOBGSA-N
MW296.37 g/mol
LogP3.04
Rot. Bonds5

About (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide

(E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 46585283) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide
PubChem CID46585283
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ncccc1CNC(=O)/C=C/c1ccc(C)cc1C
InChIInChI=1S/C18H20N2O2/c1-13-6-7-15(14(2)11-13)8-9-17(21)20-12-16-5-4-10-19-18(16)22-3/h4-11H,12H2,1-3H3,(H,20,21)/b9-8+
InChIKeyIJBDUYQKTRNYLN-CMDGGOBGSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(Z)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]ethyl]-3-hydroxypyridine-2-carboxamide
CID 98497432
(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 94178991
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 91944153
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
CID 55717356
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552
(E)-3-(2,4-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 115668495
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 94020848
(E)-3-(2,4-dimethylphenyl)-N-(4-hydroxybutyl)prop-2-enamide
CID 106842991
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 55742340

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide (CID 46585283) is (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide is COc1ncccc1CNC(=O)/C=C/c1ccc(C)cc1C.
What is the InChIKey of (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is IJBDUYQKTRNYLN-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-6-7-15(14(2)11-13)8-9-17(21)20-12-16-5-4-10-19-18(16)22-3/h4-11H,12H2,1-3H3,(H,20,21)/b9-8+.
What are the key properties of (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide?
(E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 46585283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).