(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

C28H25N3O5 — CID 55623065

IUPAC(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccn2)cc1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C28H25N3O5/c32-25(13-10-20-8-11-22(12-9-20)35-19-21-5-3-4-14-29-21)30-26-23-6-1-2-7-24(23)36-27(26)28(33)31-15-17-34-18-16-31/h1-14H,15-19H2,(H,30,32)/b13-10+
InChIKeyXPLQPBXUKOKSRC-JLHYYAGUSA-N
MW483.52 g/mol
LogP4.53
Rot. Bonds7

About (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 55623065) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
PubChem CID55623065
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC Name(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccn2)cc1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C28H25N3O5/c32-25(13-10-20-8-11-22(12-9-20)35-19-21-5-3-4-14-29-21)30-26-23-6-1-2-7-24(23)36-27(26)28(33)31-15-17-34-18-16-31/h1-14H,15-19H2,(H,30,32)/b13-10+
InChIKeyXPLQPBXUKOKSRC-JLHYYAGUSA-N
XLogP4.53
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46627854
N-[4-(azepane-1-carbonyl)phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55887105
(E)-N-(2-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46547414
(E)-N-(4-ethoxyphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55616869
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
(E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46546321
(E)-N-[2-(benzylamino)-2-oxoethyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55676181
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
(E)-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one
CID 46399510
(E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 98867836
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
(E)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one
CID 55971705

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (CID 55623065) is (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(OCc2ccccn2)cc1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12.
What is the InChIKey of (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is XPLQPBXUKOKSRC-JLHYYAGUSA-N. The full InChI is InChI=1S/C28H25N3O5/c32-25(13-10-20-8-11-22(12-9-20)35-19-21-5-3-4-14-29-21)30-26-23-6-1-2-7-24(23)36-27(26)28(33)31-15-17-34-18-16-31/h1-14H,15-19H2,(H,30,32)/b13-10+.
What are the key properties of (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 483.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 55623065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).