N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide

C26H27N3O3 — CID 86942258

IUPACN-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c30-25(21-12-5-2-6-13-21)28-23(18-22-14-9-17-32-22)26(31)27-19-24(29-15-7-8-16-29)20-10-3-1-4-11-20/h1-6,9-14,17-18,24H,7-8,15-16,19H2,(H,27,31)(H,28,30)/b23-18-
InChIKeyXECAQKKRYXHKQJ-NKFKGCMQSA-N
MW429.52 g/mol
LogP4.00
Rot. Bonds8

About N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide

N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide (PubChem CID 86942258) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide
PubChem CID86942258
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c30-25(21-12-5-2-6-13-21)28-23(18-22-14-9-17-32-22)26(31)27-19-24(29-15-7-8-16-29)20-10-3-1-4-11-20/h1-6,9-14,17-18,24H,7-8,15-16,19H2,(H,27,31)(H,28,30)/b23-18-
InChIKeyXECAQKKRYXHKQJ-NKFKGCMQSA-N
XLogP4.00
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.00
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

N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 133218762
N-[3-[[3-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3821366
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 133218765
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
N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3092968
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2063946
N-[1-(furan-2-yl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3135021
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 86942198

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide (CID 86942258) is N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide is O=C(NCC(c1ccccc1)N1CCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide?
The InChIKey is XECAQKKRYXHKQJ-NKFKGCMQSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-25(21-12-5-2-6-13-21)28-23(18-22-14-9-17-32-22)26(31)27-19-24(29-15-7-8-16-29)20-10-3-1-4-11-20/h1-6,9-14,17-18,24H,7-8,15-16,19H2,(H,27,31)(H,28,30)/b23-18-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide?
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]prop-1-en-2-yl]benzamide is sourced from PubChem (CID 86942258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).