(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

C21H22N2O3 — CID 51297180

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H22N2O3/c24-21(8-6-16-5-7-20-17(15-16)9-12-26-20)22-18-3-1-2-4-19(18)23-10-13-25-14-11-23/h1-8,15H,9-14H2,(H,22,24)/b8-6+
InChIKeyNCMXSGBRGPJAAN-SOFGYWHQSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds4

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 51297180) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID51297180
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H22N2O3/c24-21(8-6-16-5-7-20-17(15-16)9-12-26-20)22-18-3-1-2-4-19(18)23-10-13-25-14-11-23/h1-8,15H,9-14H2,(H,22,24)/b8-6+
InChIKeyNCMXSGBRGPJAAN-SOFGYWHQSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
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

(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)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 24585839
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 55794950
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-hydroxyethyl)phenyl]prop-2-enamide
CID 110904699
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368829
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 78780835
(E)-N-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7922277
(E)-N-[2-(azepan-1-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24652753

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (CID 51297180) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccccc1N1CCOCC1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is NCMXSGBRGPJAAN-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-21(8-6-16-5-7-20-17(15-16)9-12-26-20)22-18-3-1-2-4-19(18)23-10-13-25-14-11-23/h1-8,15H,9-14H2,(H,22,24)/b8-6+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 51297180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).