N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide

C22H24N2O3 — CID 133224844

IUPACN-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C22H24N2O3/c1-14-5-2-3-7-18(14)21(25)24-20(13-17-6-4-10-27-17)22(26)23-19-12-15-8-9-16(19)11-15/h2-7,10,13,15-16,19H,8-9,11-12H2,1H3,(H,23,26)(H,24,25)/b20-13-
InChIKeyJBTCOBPXZFISID-MOSHPQCFSA-N
MW364.44 g/mol
LogP3.66
Rot. Bonds5

About N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide

N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide (PubChem CID 133224844) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
PubChem CID133224844
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC NameN-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C22H24N2O3/c1-14-5-2-3-7-18(14)21(25)24-20(13-17-6-4-10-27-17)22(26)23-19-12-15-8-9-16(19)11-15/h2-7,10,13,15-16,19H,8-9,11-12H2,1H3,(H,23,26)(H,24,25)/b20-13-
InChIKeyJBTCOBPXZFISID-MOSHPQCFSA-N
XLogP3.66
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100535900
N-[(Z)-3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 125053758
N-[(Z)-3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-2-methylbenzamide
CID 125063861
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
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-oxo-3-[(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-2-methylbenzamide
CID 133160787
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 99868609
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenoxyethylamino)prop-1-en-2-yl]-2-methylbenzamide
CID 100543952
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 99889205
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[4-(pyridin-4-ylmethyl)anilino]prop-1-en-2-yl]-2-methylbenzamide
CID 100559752
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-(3-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100526931

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide (CID 133224844) is N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC1CC2CCC1C2.
What is the InChIKey of N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide?
The InChIKey is JBTCOBPXZFISID-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-5-2-3-7-18(14)21(25)24-20(13-17-6-4-10-27-17)22(26)23-19-12-15-8-9-16(19)11-15/h2-7,10,13,15-16,19H,8-9,11-12H2,1H3,(H,23,26)(H,24,25)/b20-13-.
What are the key properties of N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide?
N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide has a molecular weight of 364.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(2-bicyclo[2.2.1]heptanylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide is sourced from PubChem (CID 133224844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).