N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide

C25H20N2O3 — CID 99889205

IUPACN-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H20N2O3/c1-17-7-2-5-11-22(17)24(28)27-23(16-21-10-6-14-30-21)25(29)26-20-13-12-18-8-3-4-9-19(18)15-20/h2-16H,1H3,(H,26,29)(H,27,28)/b23-16-
InChIKeyIIYGUNAYXPDHOI-KQWNVCNZSA-N
MW396.45 g/mol
LogP5.15
Rot. Bonds5

About N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide

N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide (PubChem CID 99889205) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
PubChem CID99889205
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H20N2O3/c1-17-7-2-5-11-22(17)24(28)27-23(16-21-10-6-14-30-21)25(29)26-20-13-12-18-8-3-4-9-19(18)15-20/h2-16H,1H3,(H,26,29)(H,27,28)/b23-16-
InChIKeyIIYGUNAYXPDHOI-KQWNVCNZSA-N
XLogP5.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.15
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)-1-(furan-2-yl)-3-(3-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100526931
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100753628
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-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 99868609
2-methyl-N-[(E)-3-(naphthalen-2-ylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 35596904
N-[3-(3,4-dimethylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2836098
N-[(Z)-1-(furan-2-yl)-3-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19310885
N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide
CID 46498625
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-[2-(4-methoxyphenoxy)ethylamino]-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100556040
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[(Z)-1-(furan-2-yl)-3-[[(1S)-1-(4-methoxyphenyl)propyl]amino]-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100704018

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide (CID 99889205) is N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide?
The InChIKey is IIYGUNAYXPDHOI-KQWNVCNZSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-17-7-2-5-11-22(17)24(28)27-23(16-21-10-6-14-30-21)25(29)26-20-13-12-18-8-3-4-9-19(18)15-20/h2-16H,1H3,(H,26,29)(H,27,28)/b23-16-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide?
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide has a molecular weight of 396.45 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide is sourced from PubChem (CID 99889205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).