N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

C26H26N2O4 — CID 5292556

IUPACN-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
SMILESCc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C26H26N2O4/c1-18-9-11-19(12-10-18)24-14-13-21(32-24)16-23(26(30)27-17-22-8-5-15-31-22)28-25(29)20-6-3-2-4-7-20/h2-4,6-7,9-14,16,22H,5,8,15,17H2,1H3,(H,27,30)(H,28,29)/b23-16-
InChIKeySMZRUXPTMRSODN-KQWNVCNZSA-N
MW430.50 g/mol
LogP4.32
Rot. Bonds7

About N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide (PubChem CID 5292556) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
PubChem CID5292556
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
SMILESCc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C26H26N2O4/c1-18-9-11-19(12-10-18)24-14-13-21(32-24)16-23(26(30)27-17-22-8-5-15-31-22)28-25(29)20-6-3-2-4-7-20/h2-4,6-7,9-14,16,22H,5,8,15,17H2,1H3,(H,27,30)(H,28,29)/b23-16-
InChIKeySMZRUXPTMRSODN-KQWNVCNZSA-N
XLogP4.32
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.32
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

4-methyl-N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-en-2-yl]benzamide
CID 92923703
N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2873599
N-[(Z)-3-oxo-3-(oxolan-2-ylmethylamino)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide
CID 45128901
N-[1-[5-(4-bromophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide
CID 3789373
N-[(E)-1-[4-(dimethylamino)phenyl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
CID 6248371
N-[1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]prop-1-en-2-yl]benzamide
CID 3990191
4-methoxy-N-[3-oxo-3-(oxolan-2-ylmethylamino)-1-phenylprop-1-en-2-yl]benzamide
CID 3118593
N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-[[3-(phenylcarbamothioylamino)phenyl]methylamino]prop-1-en-2-yl]benzamide
CID 87047463
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]-2-methylbenzamide
CID 133210065
N-[(Z)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 124657322
N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 19057688
4-methyl-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-en-2-yl]benzamide
CID 7909608

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide (CID 5292556) is N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide is Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)NCC3CCCO3)o2)cc1.
What is the InChIKey of N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide?
The InChIKey is SMZRUXPTMRSODN-KQWNVCNZSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-18-9-11-19(12-10-18)24-14-13-21(32-24)16-23(26(30)27-17-22-8-5-15-31-22)28-25(29)20-6-3-2-4-7-20/h2-4,6-7,9-14,16,22H,5,8,15,17H2,1H3,(H,27,30)(H,28,29)/b23-16-.
What are the key properties of N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide?
N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide has a molecular weight of 430.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 5292556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).