3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide

C18H26N2O4 — CID 78781003

IUPAC3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C18H26N2O4/c1-22-16-6-4-15(17(14-16)23-2)5-7-18(21)19-8-3-9-20-10-12-24-13-11-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyGSYCJSBUKKWNOB-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.56
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide

3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (PubChem CID 78781003) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
PubChem CID78781003
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C18H26N2O4/c1-22-16-6-4-15(17(14-16)23-2)5-7-18(21)19-8-3-9-20-10-12-24-13-11-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyGSYCJSBUKKWNOB-UHFFFAOYSA-N
XLogP1.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 76858477
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 71495779
(E)-3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2318345
(E)-3-(2,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 90264836
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 126261566
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
(E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 36842232
1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-morpholin-4-ylpropyl)urea
CID 126452003
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78780979
(E)-3-(2,4-dimethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 37315728
(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (CID 78781003) is 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is COc1ccc(C=CC(=O)NCCCN2CCOCC2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The InChIKey is GSYCJSBUKKWNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-16-6-4-15(17(14-16)23-2)5-7-18(21)19-8-3-9-20-10-12-24-13-11-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is sourced from PubChem (CID 78781003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).