3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide

C20H22N2O4 — CID 29331459

IUPAC3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)C)c2)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-22(2)20(24)15-6-5-7-16(12-15)21-19(23)11-9-14-8-10-17(25-3)13-18(14)26-4/h5-13H,1-4H3,(H,21,23)/b11-9+
InChIKeyVAUJJKFKHAJAOO-PKNBQFBNSA-N
MW354.41 g/mol
LogP3.06
Rot. Bonds6

About 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide

3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide (PubChem CID 29331459) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
PubChem CID29331459
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)C)c2)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-22(2)20(24)15-6-5-7-16(12-15)21-19(23)11-9-14-8-10-17(25-3)13-18(14)26-4/h5-13H,1-4H3,(H,21,23)/b11-9+
InChIKeyVAUJJKFKHAJAOO-PKNBQFBNSA-N
XLogP3.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32849699
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 732712
3-[[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32848328
(E)-N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55532975
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 7749728
N,N-dimethyl-3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzamide
CID 33159074
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 9286785
N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3516334
(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 89317529
(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 30839842
3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32852031
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26712685

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide (CID 29331459) is 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide is COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)C)c2)c(OC)c1.
What is the InChIKey of 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is VAUJJKFKHAJAOO-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-22(2)20(24)15-6-5-7-16(12-15)21-19(23)11-9-14-8-10-17(25-3)13-18(14)26-4/h5-13H,1-4H3,(H,21,23)/b11-9+.
What are the key properties of 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 29331459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).