(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide

C21H24N2O4 — CID 23013597

IUPAC(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\NC(C)=O)C(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-8-14(2)10-17(9-13)23-21(25)18(22-15(3)24)11-16-6-7-19(26-4)20(12-16)27-5/h6-12H,1-5H3,(H,22,24)(H,23,25)/b18-11-
InChIKeyYXPROICZQOOVOZ-WQRHYEAKSA-N
MW368.43 g/mol
LogP3.44
Rot. Bonds6

About (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide

(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide (PubChem CID 23013597) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
PubChem CID23013597
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\NC(C)=O)C(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-8-14(2)10-17(9-13)23-21(25)18(22-15(3)24)11-16-6-7-19(26-4)20(12-16)27-5/h6-12H,1-5H3,(H,22,24)(H,23,25)/b18-11-
InChIKeyYXPROICZQOOVOZ-WQRHYEAKSA-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

2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4925504
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 6232322
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 6232272
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 4925534
[4-[2-acetamido-3-(3-acetylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 1380442
3-(3,4-dimethoxyphenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]prop-2-enamide
CID 5230953
ethyl 4-[[(Z)-2-acetamido-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2272772
[4-[2-acetamido-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 1380445
[4-[2-benzamido-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 1380454
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 4925589
2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926208
N-[(E)-1-(3,4-dimethoxyphenyl)-3-[3-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19308281

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide (CID 23013597) is (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide is COc1ccc(/C=C(\NC(C)=O)C(=O)Nc2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The InChIKey is YXPROICZQOOVOZ-WQRHYEAKSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-8-14(2)10-17(9-13)23-21(25)18(22-15(3)24)11-16-6-7-19(26-4)20(12-16)27-5/h6-12H,1-5H3,(H,22,24)(H,23,25)/b18-11-.
What are the key properties of (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-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 (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 23013597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).