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

C27H34N2O5 — CID 71495779

IUPAC(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C27H34N2O5/c1-31-23-9-6-21(7-10-23)5-8-22-19-24(32-2)20-26(33-3)25(22)11-12-27(30)28-13-4-14-29-15-17-34-18-16-29/h5-12,19-20H,4,13-18H2,1-3H3,(H,28,30)/b8-5+,12-11+
InChIKeyOGXCWQYJRFVEAM-CQYWEGEGSA-N
MW466.58 g/mol
LogP3.73
Rot. Bonds11

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

(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide (PubChem CID 71495779) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide
PubChem CID71495779
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Name(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C27H34N2O5/c1-31-23-9-6-21(7-10-23)5-8-22-19-24(32-2)20-26(33-3)25(22)11-12-27(30)28-13-4-14-29-15-17-34-18-16-29/h5-12,19-20H,4,13-18H2,1-3H3,(H,28,30)/b8-5+,12-11+
InChIKeyOGXCWQYJRFVEAM-CQYWEGEGSA-N
XLogP3.73
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78781003
(E)-N-butyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 71495784
(E)-3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2318345
3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-ethylprop-2-enamide
CID 174654961
(E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 36842232
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 76858477
(E)-3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2259539
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[4-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6277320
(E)-3-(4-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]prop-2-enamide
CID 39993399
(E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 71495781
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide (CID 71495779) is (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide is COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The InChIKey is OGXCWQYJRFVEAM-CQYWEGEGSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-31-23-9-6-21(7-10-23)5-8-22-19-24(32-2)20-26(33-3)25(22)11-12-27(30)28-13-4-14-29-15-17-34-18-16-29/h5-12,19-20H,4,13-18H2,1-3H3,(H,28,30)/b8-5+,12-11+.
What are the key properties of (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide has a molecular weight of 466.58 g/mol, XLogP of 3.73, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide is sourced from PubChem (CID 71495779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).