N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide

C23H22N2O4 — CID 100543952

IUPACN-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C23H22N2O4/c1-17-8-5-6-12-20(17)22(26)25-21(16-19-11-7-14-28-19)23(27)24-13-15-29-18-9-3-2-4-10-18/h2-12,14,16H,13,15H2,1H3,(H,24,27)(H,25,26)/b21-16-
InChIKeyYKEMERWMPONTHB-PGMHBOJBSA-N
MW390.44 g/mol
LogP3.55
Rot. Bonds8

About N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide

N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide (PubChem CID 100543952) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide
PubChem CID100543952
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C23H22N2O4/c1-17-8-5-6-12-20(17)22(26)25-21(16-19-11-7-14-28-19)23(27)24-13-15-29-18-9-3-2-4-10-18/h2-12,14,16H,13,15H2,1H3,(H,24,27)(H,25,26)/b21-16-
InChIKeyYKEMERWMPONTHB-PGMHBOJBSA-N
XLogP3.55
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(furan-2-yl)-3-[2-(4-methoxyphenoxy)ethylamino]-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100556040
N-[(Z)-1-(furan-2-yl)-3-[2-(3-methoxyphenoxy)ethylamino]-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100555223
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[2-(4-propylphenoxy)ethylamino]prop-1-en-2-yl]-2-methylbenzamide
CID 100564781
N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2063946
N-[(Z)-3-[2-(3,4-dimethylphenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 100560842
N-[1-(furan-2-yl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873413
N-[(Z)-3-[2-(4-chlorophenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100545825
N-[(Z)-3-[2-(4-tert-butylphenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 100561837
N-[(Z)-3-[2-(4-fluorophenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 100563565
N-[(Z)-1-(furan-2-yl)-3-(3-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100526931
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]-2-methylbenzamide
CID 133210065
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 99868609

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide (CID 100543952) is N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCOc1ccccc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide?
The InChIKey is YKEMERWMPONTHB-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-17-8-5-6-12-20(17)22(26)25-21(16-19-11-7-14-28-19)23(27)24-13-15-29-18-9-3-2-4-10-18/h2-12,14,16H,13,15H2,1H3,(H,24,27)(H,25,26)/b21-16-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide?
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide has a molecular weight of 390.44 g/mol, XLogP of 3.55, 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-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide is sourced from PubChem (CID 100543952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).