N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide

C24H22N2O4 — CID 1113661

IUPACN-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1ccc(-c2ccccc2)o1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c27-23(19-9-5-2-6-10-19)25-21(24(28)26-13-15-29-16-14-26)17-20-11-12-22(30-20)18-7-3-1-4-8-18/h1-12,17H,13-16H2,(H,25,27)/b21-17-
InChIKeyGEKQJFXWIAJLGP-FXBPSFAMSA-N
MW402.45 g/mol
LogP3.58
Rot. Bonds5

About N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide

N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide (PubChem CID 1113661) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
PubChem CID1113661
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1ccc(-c2ccccc2)o1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c27-23(19-9-5-2-6-10-19)25-21(24(28)26-13-15-29-16-14-26)17-20-11-12-22(30-20)18-7-3-1-4-8-18/h1-12,17H,13-16H2,(H,25,27)/b21-17-
InChIKeyGEKQJFXWIAJLGP-FXBPSFAMSA-N
XLogP3.58
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.58
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

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CID 42262
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N-[2-Furan-2-yl-1-(4-methyl-piperidine-1-carbonyl)-vinyl]-benzamide
CID 5344059
N-[2-(5-methyl-2-furyl)-1-({[2-(4-morpholinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 5292081
N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 16193996
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CID 10990391
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
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CID 5437799

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide (CID 1113661) is N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide is O=C(N/C(=C\c1ccc(-c2ccccc2)o1)C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide?
The InChIKey is GEKQJFXWIAJLGP-FXBPSFAMSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-23(19-9-5-2-6-10-19)25-21(24(28)26-13-15-29-16-14-26)17-20-11-12-22(30-20)18-7-3-1-4-8-18/h1-12,17H,13-16H2,(H,25,27)/b21-17-.
What are the key properties of N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide?
N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-morpholin-4-yl-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 1113661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).