(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

C17H20N2O3 — CID 39394629

IUPAC(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2o1)NCCN1CCOCC1
InChIInChI=1S/C17H20N2O3/c20-17(18-7-8-19-9-11-21-12-10-19)6-5-15-13-14-3-1-2-4-16(14)22-15/h1-6,13H,7-12H2,(H,18,20)/b6-5+
InChIKeyPNDJYEIUSKTOIX-AATRIKPKSA-N
MW300.36 g/mol
LogP1.89
Rot. Bonds5

About (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 39394629) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID39394629
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2o1)NCCN1CCOCC1
InChIInChI=1S/C17H20N2O3/c20-17(18-7-8-19-9-11-21-12-10-19)6-5-15-13-14-3-1-2-4-16(14)22-15/h1-6,13H,7-12H2,(H,18,20)/b6-5+
InChIKeyPNDJYEIUSKTOIX-AATRIKPKSA-N
XLogP1.89
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.89
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)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 51159430
(E)-3-(1-benzofuran-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-enamide
CID 78861524
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2319380
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842683
3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide
CID 74633280
(E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 36842232
2-fluoren-9-ylidene-N-(2-morpholin-4-ylethyl)acetamide
CID 58938044
(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2166442
1-(1-benzofuran-2-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 14509721
N-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2634687

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 39394629) is (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is O=C(/C=C/c1cc2ccccc2o1)NCCN1CCOCC1.
What is the InChIKey of (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is PNDJYEIUSKTOIX-AATRIKPKSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-17(18-7-8-19-9-11-21-12-10-19)6-5-15-13-14-3-1-2-4-16(14)22-15/h1-6,13H,7-12H2,(H,18,20)/b6-5+.
What are the key properties of (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 300.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 39394629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).