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

C25H24N2O5 — CID 6232272

IUPAC(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/NC(C)=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H24N2O5/c1-17(28)26-22(15-18-9-14-23(30-2)24(16-18)31-3)25(29)27-19-10-12-21(13-11-19)32-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,26,28)(H,27,29)/b22-15+
InChIKeyNUHYFSSOJGAGAF-PXLXIMEGSA-N
MW432.48 g/mol
LogP4.61
Rot. Bonds8

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

(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide (PubChem CID 6232272) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
PubChem CID6232272
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/NC(C)=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H24N2O5/c1-17(28)26-22(15-18-9-14-23(30-2)24(16-18)31-3)25(29)27-19-10-12-21(13-11-19)32-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,26,28)(H,27,29)/b22-15+
InChIKeyNUHYFSSOJGAGAF-PXLXIMEGSA-N
XLogP4.61
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 23013597
2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4925504
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 4925534
(E)-2-acetamido-N-[4-(2-cyclohexylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 17137720
N-[1-(3,4-dimethoxyphenyl)-3-(4-iodoanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 2840240
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 6232322
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
[4-[2-acetamido-3-(3-acetylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 1380442
N-[3-(3-acetylanilino)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1118396
(Z)-2-acetamido-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 155322588
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645

Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide (CID 6232272) is (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide is COc1ccc(/C=C(/NC(C)=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC.
What is the InChIKey of (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The InChIKey is NUHYFSSOJGAGAF-PXLXIMEGSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-17(28)26-22(15-18-9-14-23(30-2)24(16-18)31-3)25(29)27-19-10-12-21(13-11-19)32-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,26,28)(H,27,29)/b22-15+.
What are the key properties of (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide has a molecular weight of 432.48 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6232272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).