(E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C18H26N2O5 — CID 1034086

IUPAC(E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O5/c1-22-15-12-14(13-16(23-2)18(15)24-3)4-5-17(21)19-6-7-20-8-10-25-11-9-20/h4-5,12-13H,6-11H2,1-3H3,(H,19,21)/b5-4+
InChIKeyARRWHNJKXYJPGF-SNAWJCMRSA-N
MW350.42 g/mol
LogP1.17
Rot. Bonds8

About (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 1034086) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID1034086
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name(E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O5/c1-22-15-12-14(13-16(23-2)18(15)24-3)4-5-17(21)19-6-7-20-8-10-25-11-9-20/h4-5,12-13H,6-11H2,1-3H3,(H,19,21)/b5-4+
InChIKeyARRWHNJKXYJPGF-SNAWJCMRSA-N
XLogP1.17
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide with MolForge

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Related Compounds

Piperlongumine
CID 637858
Cinepazide
CID 5282459
Cinepazet
CID 6434395
1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one
CID 643764
1-(3,4,5-Trimethoxycinnamoyl)pyrrolidine
CID 808227
Dihydropiplartine
CID 689050
(E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1a)
CID 6435252
(E)-N-Allyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1b)
CID 6444575
(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 966574
(E)-N-Butyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1c)
CID 6366207
Cinnamamide, N-(2-hydroxyethyl)-3,4,5-trimethoxy-
CID 6434082
(2E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 763648

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 1034086) is (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCCN2CCOCC2)cc(OC)c1OC.
What is the InChIKey of (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is ARRWHNJKXYJPGF-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-22-15-12-14(13-16(23-2)18(15)24-3)4-5-17(21)19-6-7-20-8-10-25-11-9-20/h4-5,12-13H,6-11H2,1-3H3,(H,19,21)/b5-4+.
What are the key properties of (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-morpholin-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1034086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).