(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide

C20H19NO4 — CID 102270516

IUPAC(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19NO4/c1-24-17-9-3-15(4-10-17)7-13-19(22)21-20(23)14-8-16-5-11-18(25-2)12-6-16/h3-14H,1-2H3,(H,21,22,23)/b13-7+,14-8+
InChIKeyHACAWDSTIWVGFT-FNCQTZNRSA-N
MW337.38 g/mol
LogP3.07
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide (PubChem CID 102270516) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
PubChem CID102270516
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19NO4/c1-24-17-9-3-15(4-10-17)7-13-19(22)21-20(23)14-8-16-5-11-18(25-2)12-6-16/h3-14H,1-2H3,(H,21,22,23)/b13-7+,14-8+
InChIKeyHACAWDSTIWVGFT-FNCQTZNRSA-N
XLogP3.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.07
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

(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl N-[3-(4-methoxyphenyl)prop-2-enoylamino]carbamate
CID 3316447
3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
CID 71336334
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 5355141
2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
CID 740401
(E)-N-(diethylcarbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6276098
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
(E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 46554675

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide (CID 102270516) is (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NC(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide?
The InChIKey is HACAWDSTIWVGFT-FNCQTZNRSA-N. The full InChI is InChI=1S/C20H19NO4/c1-24-17-9-3-15(4-10-17)7-13-19(22)21-20(23)14-8-16-5-11-18(25-2)12-6-16/h3-14H,1-2H3,(H,21,22,23)/b13-7+,14-8+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide is sourced from PubChem (CID 102270516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).