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

C25H26N2O3 — CID 133210858

IUPACN-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide
SMILESCCC(NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C25H26N2O3/c1-4-22(19-12-10-17(2)11-13-19)26-25(29)23(16-21-9-6-14-30-21)27-24(28)20-8-5-7-18(3)15-20/h5-16,22H,4H2,1-3H3,(H,26,29)(H,27,28)/b23-16-
InChIKeyGSXBQSJHKCLBGI-KQWNVCNZSA-N
MW402.49 g/mol
LogP4.93
Rot. Bonds7

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

N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide (PubChem CID 133210858) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide
PubChem CID133210858
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide
SMILESCCC(NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C25H26N2O3/c1-4-22(19-12-10-17(2)11-13-19)26-25(29)23(16-21-9-6-14-30-21)27-24(28)20-8-5-7-18(3)15-20/h5-16,22H,4H2,1-3H3,(H,26,29)(H,27,28)/b23-16-
InChIKeyGSXBQSJHKCLBGI-KQWNVCNZSA-N
XLogP4.93
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-1-(furan-2-yl)-3-[2-(4-methylphenyl)sulfanylethylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 100642988
N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)ethylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 133210525
N-[(Z)-3-[1-(2,4-dimethylphenyl)propylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 133201745
N-[(Z)-1-(furan-2-yl)-3-[1-(2-methoxyphenoxy)propan-2-ylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 133261778
3-methyl-N-[(Z)-3-oxo-3-(1-phenylpropylamino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 133219201
N-[(Z)-1-(furan-2-yl)-3-[[(1S)-1-(4-methoxyphenyl)propyl]amino]-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100704018
N-[(Z)-3-[1-(2,5-dimethylphenyl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 133184251
N-[(Z)-3-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 133187145
N-[(Z)-3-[1-(4-methoxyphenyl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-methylbenzamide
CID 133163020
N-[(Z)-1-(furan-2-yl)-3-[[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]amino]-3-oxoprop-1-en-2-yl]benzamide
CID 100666620
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-propan-2-yloxyanilino)prop-1-en-2-yl]-3-methylbenzamide
CID 100637589

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide (CID 133210858) is N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide is CCC(NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide?
The InChIKey is GSXBQSJHKCLBGI-KQWNVCNZSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-4-22(19-12-10-17(2)11-13-19)26-25(29)23(16-21-9-6-14-30-21)27-24(28)20-8-5-7-18(3)15-20/h5-16,22H,4H2,1-3H3,(H,26,29)(H,27,28)/b23-16-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide?
N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 4.93, 7 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-[1-(4-methylphenyl)propylamino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide is sourced from PubChem (CID 133210858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).