N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide

C22H22N2O3 — CID 3118289

IUPACN-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
SMILESO=C(NC(=CC=Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H22N2O3/c25-21(19-11-5-2-6-12-19)23-20(22(26)24-14-16-27-17-15-24)13-7-10-18-8-3-1-4-9-18/h1-13H,14-17H2,(H,23,25)
InChIKeyUUIGXPLOPDTINR-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.87
Rot. Bonds5

About N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide

N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide (PubChem CID 3118289) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
PubChem CID3118289
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
SMILESO=C(NC(=CC=Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H22N2O3/c25-21(19-11-5-2-6-12-19)23-20(22(26)24-14-16-27-17-15-24)13-7-10-18-8-3-1-4-9-18/h1-13H,14-17H2,(H,23,25)
InChIKeyUUIGXPLOPDTINR-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
CID 2907636
N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 6531421
N-[(Z)-1-(5-iodofuran-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19057172
N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 92982413
N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 20831443
3-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]benzoic acid
CID 2270660
N-[1-(2-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 3114615
N-[3-(4-hydroxypiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 155011696
N-[1-(2-benzylidenehydrazinyl)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2858617
N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2232702
4-methyl-N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 22301441
N-[3-(4-methylpiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 680553

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide?
The IUPAC name of N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide (CID 3118289) is N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide is O=C(NC(=CC=Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide?
The InChIKey is UUIGXPLOPDTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21(19-11-5-2-6-12-19)23-20(22(26)24-14-16-27-17-15-24)13-7-10-18-8-3-1-4-9-18/h1-13H,14-17H2,(H,23,25).
What are the key properties of N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide?
N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide is sourced from PubChem (CID 3118289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).