(E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide

C26H31NO4 — CID 71495781

IUPAC(E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H31NO4/c1-29-22-13-10-19(11-14-22)9-12-20-17-23(30-2)18-25(31-3)24(20)15-16-26(28)27-21-7-5-4-6-8-21/h9-18,21H,4-8H2,1-3H3,(H,27,28)/b12-9+,16-15+
InChIKeyJSAKVNVQUTZKNO-JDHQLRNLSA-N
MW421.54 g/mol
LogP5.34
Rot. Bonds8

About (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide

(E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide (PubChem CID 71495781) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
PubChem CID71495781
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name(E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H31NO4/c1-29-22-13-10-19(11-14-22)9-12-20-17-23(30-2)18-25(31-3)24(20)15-16-26(28)27-21-7-5-4-6-8-21/h9-18,21H,4-8H2,1-3H3,(H,27,28)/b12-9+,16-15+
InChIKeyJSAKVNVQUTZKNO-JDHQLRNLSA-N
XLogP5.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide with MolForge

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Related Compounds

3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-ethylprop-2-enamide
CID 174654961
(E)-N-butyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 71495784
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 71652530
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54583562
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(2-methylphenyl)prop-2-en-1-one
CID 54583718
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 39390754
(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 26709178
3-(3-bromo-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 4108071
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 71495779
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 8713321

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide (CID 71495781) is (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide is COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The InChIKey is JSAKVNVQUTZKNO-JDHQLRNLSA-N. The full InChI is InChI=1S/C26H31NO4/c1-29-22-13-10-19(11-14-22)9-12-20-17-23(30-2)18-25(31-3)24(20)15-16-26(28)27-21-7-5-4-6-8-21/h9-18,21H,4-8H2,1-3H3,(H,27,28)/b12-9+,16-15+.
What are the key properties of (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide?
(E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide has a molecular weight of 421.54 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 71495781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).