(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide

C21H24N2O4 — CID 6232322

IUPAC(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/NC(C)=O)C(=O)Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-7-6-8-14(2)20(13)23-21(25)17(22-15(3)24)11-16-9-10-18(26-4)19(12-16)27-5/h6-12H,1-5H3,(H,22,24)(H,23,25)/b17-11+
InChIKeySSVFSNNZEACJTD-GZTJUZNOSA-N
MW368.43 g/mol
LogP3.44
Rot. Bonds6

About (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide

(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide (PubChem CID 6232322) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
PubChem CID6232322
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/NC(C)=O)C(=O)Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-7-6-8-14(2)20(13)23-21(25)17(22-15(3)24)11-16-9-10-18(26-4)19(12-16)27-5/h6-12H,1-5H3,(H,22,24)(H,23,25)/b17-11+
InChIKeySSVFSNNZEACJTD-GZTJUZNOSA-N
XLogP3.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 23013597
[4-[2-acetamido-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 1380445
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 4925534
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 6232272
2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4925504
[4-[2-acetamido-3-(3-acetylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 1380442
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 4925589
N-[(Z)-1-(3,4-dimethoxyphenyl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21386125
(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide
CID 23013629
N-[3-(3-acetylanilino)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1118396
[4-[(Z)-2-acetamido-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 2272784
ethyl 4-[[(Z)-2-acetamido-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2272772

Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide (CID 6232322) is (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide is COc1ccc(/C=C(/NC(C)=O)C(=O)Nc2c(C)cccc2C)cc1OC.
What is the InChIKey of (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide?
The InChIKey is SSVFSNNZEACJTD-GZTJUZNOSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-7-6-8-14(2)20(13)23-21(25)17(22-15(3)24)11-16-9-10-18(26-4)19(12-16)27-5/h6-12H,1-5H3,(H,22,24)(H,23,25)/b17-11+.
What are the key properties of (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide?
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide has a molecular weight of 368.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 6232322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).