(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide

C19H21NO2 — CID 102455736

IUPAC(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide
SMILESCON(C)C(=O)/C=C(\c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C19H21NO2/c1-14-10-11-17(15(2)12-14)18(13-19(21)20(3)22-4)16-8-6-5-7-9-16/h5-13H,1-4H3/b18-13+
InChIKeyWREVNQQMAXZFDZ-QGOAFFKASA-N
MW295.38 g/mol
LogP3.75
Rot. Bonds4

About (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide

(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide (PubChem CID 102455736) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide
PubChem CID102455736
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide
SMILESCON(C)C(=O)/C=C(\c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C19H21NO2/c1-14-10-11-17(15(2)12-14)18(13-19(21)20(3)22-4)16-8-6-5-7-9-16/h5-13H,1-4H3/b18-13+
InChIKeyWREVNQQMAXZFDZ-QGOAFFKASA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide
CID 134920694
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide
CID 135086786
(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83564407
3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide
CID 102204543
1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene
CID 142303398
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide
CID 71527195
4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 67654741
dimethyl 2-[2-(2,4-dimethylphenyl)-2-oxoethylidene]propanedioate
CID 802091
1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene
CID 20657013
N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline
CID 20813136

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide (CID 102455736) is (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide is CON(C)C(=O)/C=C(\c1ccccc1)c1ccc(C)cc1C.
What is the InChIKey of (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide?
The InChIKey is WREVNQQMAXZFDZ-QGOAFFKASA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-10-11-17(15(2)12-14)18(13-19(21)20(3)22-4)16-8-6-5-7-9-16/h5-13H,1-4H3/b18-13+.
What are the key properties of (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide?
(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 102455736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).