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

C24H24N2O4 — CID 100637589

IUPACN-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C24H24N2O4/c1-16(2)30-22-12-5-4-11-20(22)25-24(28)21(15-19-10-7-13-29-19)26-23(27)18-9-6-8-17(3)14-18/h4-16H,1-3H3,(H,25,28)(H,26,27)/b21-15-
InChIKeyYKFUYVPVDGPJIA-QNGOZBTKSA-N
MW404.47 g/mol
LogP4.78
Rot. Bonds7

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

N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide (PubChem CID 100637589) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide
PubChem CID100637589
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C24H24N2O4/c1-16(2)30-22-12-5-4-11-20(22)25-24(28)21(15-19-10-7-13-29-19)26-23(27)18-9-6-8-17(3)14-18/h4-16H,1-3H3,(H,25,28)(H,26,27)/b21-15-
InChIKeyYKFUYVPVDGPJIA-QNGOZBTKSA-N
XLogP4.78
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.78
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

3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
N-[(Z)-1-(furan-2-yl)-3-[1-(2-methoxyphenoxy)propan-2-ylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 133261778
N-[(Z)-3-(2-fluoro-4-propan-2-yloxyanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942551
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 99868613
3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 19057350
N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 133210858
N-[(Z)-3-[[(S)-(2,4-dimethylphenyl)-phenylmethyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 100637511
N-[(Z)-3-[2-(4-fluorophenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 100563565
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554
N-[(Z)-1-(furan-2-yl)-3-[4-[1-(3-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22187899
N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942665
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide (CID 100637589) is N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2OC(C)C)c1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide?
The InChIKey is YKFUYVPVDGPJIA-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16(2)30-22-12-5-4-11-20(22)25-24(28)21(15-19-10-7-13-29-19)26-23(27)18-9-6-8-17(3)14-18/h4-16H,1-3H3,(H,25,28)(H,26,27)/b21-15-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide?
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 4.78, 7 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-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide is sourced from PubChem (CID 100637589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).