N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide

C26H24N4O5 — CID 100765648

IUPACN-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1OC
InChIInChI=1S/C26H24N4O5/c1-33-23-10-7-19(14-24(23)34-2)25(31)29-22(15-21-4-3-13-35-21)26(32)28-16-18-5-8-20(9-6-18)30-12-11-27-17-30/h3-15,17H,16H2,1-2H3,(H,28,32)(H,29,31)/b22-15-
InChIKeyCGFKJWLAQJUMJH-JCMHNJIXSA-N
MW472.50 g/mol
LogP3.57
Rot. Bonds9

About N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide

N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide (PubChem CID 100765648) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
PubChem CID100765648
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1OC
InChIInChI=1S/C26H24N4O5/c1-33-23-10-7-19(14-24(23)34-2)25(31)29-22(15-21-4-3-13-35-21)26(32)28-16-18-5-8-20(9-6-18)30-12-11-27-17-30/h3-15,17H,16H2,1-2H3,(H,28,32)(H,29,31)/b22-15-
InChIKeyCGFKJWLAQJUMJH-JCMHNJIXSA-N
XLogP3.57
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100556742
N-[3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 3350316
N-[(Z)-3-[2-(4-ethylphenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100557865
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100587585
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide
CID 76532197
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3484364
N-[1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 3713457
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide
CID 57382769
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide (CID 100765648) is N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1OC.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide?
The InChIKey is CGFKJWLAQJUMJH-JCMHNJIXSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-33-23-10-7-19(14-24(23)34-2)25(31)29-22(15-21-4-3-13-35-21)26(32)28-16-18-5-8-20(9-6-18)30-12-11-27-17-30/h3-15,17H,16H2,1-2H3,(H,28,32)(H,29,31)/b22-15-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide?
N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide has a molecular weight of 472.50 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-[(4-imidazol-1-ylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 100765648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).