4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

C25H25N3O6 — CID 2908603

IUPAC4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C25H25N3O6/c1-2-3-13-33-21-11-9-19(10-12-21)24(29)27-23(25(30)26-17-22-8-5-14-34-22)16-18-6-4-7-20(15-18)28(31)32/h4-12,14-16H,2-3,13,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyJWECMGHGTAATNU-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.45
Rot. Bonds11

About 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 2908603) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID2908603
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C25H25N3O6/c1-2-3-13-33-21-11-9-19(10-12-21)24(29)27-23(25(30)26-17-22-8-5-14-34-22)16-18-6-4-7-20(15-18)28(31)32/h4-12,14-16H,2-3,13,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyJWECMGHGTAATNU-UHFFFAOYSA-N
XLogP4.45
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-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

4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2908003
1-N,4-N-bis[(E)-1-(3-nitrophenyl)-3-oxo-3-(propylamino)prop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665284
N-[3-(furan-2-ylmethylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1091225
4-butoxy-N-[(E)-1-[4-(dimethylamino)phenyl]-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 46496987
4-butoxy-N-[3-(3-hydroxypropylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2908723
N-[(E)-3-(2-methoxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6152917
4-methoxy-N-[(Z)-3-(methylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2891522
N-[3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 1100468
N-[(Z)-3-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 7262071
N-[(Z)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 5441739
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
N-[3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 1330234

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide (CID 2908603) is 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is CCCCOc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is JWECMGHGTAATNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-2-3-13-33-21-11-9-19(10-12-21)24(29)27-23(25(30)26-17-22-8-5-14-34-22)16-18-6-4-7-20(15-18)28(31)32/h4-12,14-16H,2-3,13,17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide?
4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 463.49 g/mol, XLogP of 4.45, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2908603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).