(E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide

C21H24N2O3 — CID 110297163

IUPAC(E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide
SMILESCOc1ccc(/C(C)=C/C(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-16(17-7-9-18(25-2)10-8-17)15-21(24)22-19-5-3-4-6-20(19)23-11-13-26-14-12-23/h3-10,15H,11-14H2,1-2H3,(H,22,24)/b16-15+
InChIKeyAPXBMWSEAJAXAE-FOCLMDBBSA-N
MW352.43 g/mol
LogP3.57
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide

(E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide (PubChem CID 110297163) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide
PubChem CID110297163
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide
SMILESCOc1ccc(/C(C)=C/C(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-16(17-7-9-18(25-2)10-8-17)15-21(24)22-19-5-3-4-6-20(19)23-11-13-26-14-12-23/h3-10,15H,11-14H2,1-2H3,(H,22,24)/b16-15+
InChIKeyAPXBMWSEAJAXAE-FOCLMDBBSA-N
XLogP3.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110316961
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
(2S)-2-(4-acetylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 40791637
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
(E)-N-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7922277
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
CID 175652884
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
(3R)-2-(4-methoxyphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2362497

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide (CID 110297163) is (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide is COc1ccc(/C(C)=C/C(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide?
The InChIKey is APXBMWSEAJAXAE-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16(17-7-9-18(25-2)10-8-17)15-21(24)22-19-5-3-4-6-20(19)23-11-13-26-14-12-23/h3-10,15H,11-14H2,1-2H3,(H,22,24)/b16-15+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide has a molecular weight of 352.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide is sourced from PubChem (CID 110297163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).