N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

C25H26N2O3 — CID 5226486

IUPACN-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCCCN(Cc1ccccc1)C(=O)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-2-3-16-27(19-20-11-6-4-7-12-20)25(29)23(18-22-15-10-17-30-22)26-24(28)21-13-8-5-9-14-21/h4-15,17-18H,2-3,16,19H2,1H3,(H,26,28)
InChIKeyIUFWFTCXJJYDFD-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.88
Rot. Bonds9

About N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 5226486) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID5226486
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCCCN(Cc1ccccc1)C(=O)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-2-3-16-27(19-20-11-6-4-7-12-20)25(29)23(18-22-15-10-17-30-22)26-24(28)21-13-8-5-9-14-21/h4-15,17-18H,2-3,16,19H2,1H3,(H,26,28)
InChIKeyIUFWFTCXJJYDFD-UHFFFAOYSA-N
XLogP4.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide 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-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599458
N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 100500958
4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3708482
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 86942198
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pentan-2-ylamino)prop-1-en-2-yl]benzamide
CID 133201727
3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 86942349
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 100746621
N-[3-[[3-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3821366
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061
N-[1-(furan-2-yl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873413
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 5226486) is N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is CCCCN(Cc1ccccc1)C(=O)C(=Cc1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is IUFWFTCXJJYDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-3-16-27(19-20-11-6-4-7-12-20)25(29)23(18-22-15-10-17-30-22)26-24(28)21-13-8-5-9-14-21/h4-15,17-18H,2-3,16,19H2,1H3,(H,26,28).
What are the key properties of N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5226486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).