N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

C24H24N2O4 — CID 100570313

IUPACN-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SMILESCCOc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H24N2O4/c1-3-29-22-9-5-4-7-19(22)16-25-24(28)21(15-20-8-6-14-30-20)26-23(27)18-12-10-17(2)11-13-18/h4-15H,3,16H2,1-2H3,(H,25,28)(H,26,27)/b21-15-
InChIKeyUHXHHOYULZDZAW-QNGOZBTKSA-N
MW404.47 g/mol
LogP4.07
Rot. Bonds8

About N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide (PubChem CID 100570313) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
PubChem CID100570313
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SMILESCCOc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H24N2O4/c1-3-29-22-9-5-4-7-19(22)16-25-24(28)21(15-20-8-6-14-30-20)26-23(27)18-12-10-17(2)11-13-18/h4-15H,3,16H2,1-2H3,(H,25,28)(H,26,27)/b21-15-
InChIKeyUHXHHOYULZDZAW-QNGOZBTKSA-N
XLogP4.07
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.07
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

N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100587585
N-[3-[(2,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599492
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 133218765
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 100746621
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[(E)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 6020846
N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100556742
N-[3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 1100468
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 99868613
N-[(Z)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 5441739
N-[3-[(2,4-dichlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4201110

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide (CID 100570313) is N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide is CCOc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The InChIKey is UHXHHOYULZDZAW-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-29-22-9-5-4-7-19(22)16-25-24(28)21(15-20-8-6-14-30-20)26-23(27)18-12-10-17(2)11-13-18/h4-15H,3,16H2,1-2H3,(H,25,28)(H,26,27)/b21-15-.
What are the key properties of N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[(2-ethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide is sourced from PubChem (CID 100570313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).