3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

C23H28N2O4 — CID 78780835

IUPAC3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccccc2N2CCOCC2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-28-21-11-9-18(17-22(21)29-4-2)10-12-23(26)24-19-7-5-6-8-20(19)25-13-15-27-16-14-25/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,26)
InChIKeyLRDHSWQQSLJUAS-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.97
Rot. Bonds8

About 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 78780835) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID78780835
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccccc2N2CCOCC2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-28-21-11-9-18(17-22(21)29-4-2)10-12-23(26)24-19-7-5-6-8-20(19)25-13-15-27-16-14-25/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,26)
InChIKeyLRDHSWQQSLJUAS-UHFFFAOYSA-N
XLogP3.97
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7922277
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
(E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 18227019
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26955538
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 51297180
(E)-3-(4-butoxy-3-methoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 46534246
(E)-3-(2-bromophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 26413911
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5190970

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (CID 78780835) is 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2ccccc2N2CCOCC2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is LRDHSWQQSLJUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-21-11-9-18(17-22(21)29-4-2)10-12-23(26)24-19-7-5-6-8-20(19)25-13-15-27-16-14-25/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,26).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 396.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 78780835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).