N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide

C26H25N3O4 — CID 103599515

IUPACN-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H25N3O4/c30-24-12-5-13-29(24)18-20-8-4-7-19(15-20)17-27-26(32)23(16-22-11-6-14-33-22)28-25(31)21-9-2-1-3-10-21/h1-4,6-11,14-16H,5,12-13,17-18H2,(H,27,32)(H,28,31)
InChIKeyGKVRKPSACKXROZ-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.49
Rot. Bonds8

About N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide

N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide (PubChem CID 103599515) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide
PubChem CID103599515
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H25N3O4/c30-24-12-5-13-29(24)18-20-8-4-7-19(15-20)17-27-26(32)23(16-22-11-6-14-33-22)28-25(31)21-9-2-1-3-10-21/h1-4,6-11,14-16H,5,12-13,17-18H2,(H,27,32)(H,28,31)
InChIKeyGKVRKPSACKXROZ-UHFFFAOYSA-N
XLogP3.49
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 86942349
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CID 86942587
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478
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CID 38231106
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 86942198
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide
CID 86942258
1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890501
N-[3-[(2,4-dichlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4201110
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 5409301
N-[1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 820382
(E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 100735360
N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide?
The IUPAC name of N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide (CID 103599515) is N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide is O=C(NCc1cccc(CN2CCCC2=O)c1)C(=Cc1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide?
The InChIKey is GKVRKPSACKXROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c30-24-12-5-13-29(24)18-20-8-4-7-19(15-20)17-27-26(32)23(16-22-11-6-14-33-22)28-25(31)21-9-2-1-3-10-21/h1-4,6-11,14-16H,5,12-13,17-18H2,(H,27,32)(H,28,31).
What are the key properties of N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide?
N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide has a molecular weight of 443.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide is sourced from PubChem (CID 103599515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).