N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide

C21H25N3O4 — CID 5292081

IUPACN-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)o1
InChIInChI=1S/C21H25N3O4/c1-16-7-8-18(28-16)15-19(23-20(25)17-5-3-2-4-6-17)21(26)22-9-10-24-11-13-27-14-12-24/h2-8,15H,9-14H2,1H3,(H,22,26)(H,23,25)/b19-15-
InChIKeyWXCHDRGZUVIZLF-CYVLTUHYSA-N
MW383.45 g/mol
LogP1.81
Rot. Bonds7

About N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 5292081) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID5292081
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)o1
InChIInChI=1S/C21H25N3O4/c1-16-7-8-18(28-16)15-19(23-20(25)17-5-3-2-4-6-17)21(26)22-9-10-24-11-13-27-14-12-24/h2-8,15H,9-14H2,1H3,(H,22,26)(H,23,25)/b19-15-
InChIKeyWXCHDRGZUVIZLF-CYVLTUHYSA-N
XLogP1.81
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide (CID 5292081) is N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide is Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)o1.
What is the InChIKey of N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is WXCHDRGZUVIZLF-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-16-7-8-18(28-16)15-19(23-20(25)17-5-3-2-4-6-17)21(26)22-9-10-24-11-13-27-14-12-24/h2-8,15H,9-14H2,1H3,(H,22,26)(H,23,25)/b19-15-.
What are the key properties of N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-methylfuran-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5292081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).