N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C17H14N2O5 — CID 5399172

IUPACN-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCc1ccco1)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C17H14N2O5/c20-16(18-11-13-5-2-8-23-13)14(10-12-4-1-7-22-12)19-17(21)15-6-3-9-24-15/h1-10H,11H2,(H,18,20)(H,19,21)/b14-10+
InChIKeyYBQNMTCWAUEUQU-GXDHUFHOSA-N
MW326.31 g/mol
LogP2.55
Rot. Bonds6

About N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 5399172) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID5399172
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC NameN-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCc1ccco1)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C17H14N2O5/c20-16(18-11-13-5-2-8-23-13)14(10-12-4-1-7-22-12)19-17(21)15-6-3-9-24-15/h1-10H,11H2,(H,18,20)(H,19,21)/b14-10+
InChIKeyYBQNMTCWAUEUQU-GXDHUFHOSA-N
XLogP2.55
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide 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

1-(2-Furoyl)piperazine
CID 550206
N-(2-Furoyl)glycine methyl ester
CID 518748
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
N-{2-Furan-2-yl-1-[(furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755140
1-(Furan-2-carbonyl)imidazolidin-2-one
CID 1266917
N,N'-Difurfuryloxamide
CID 330826
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
(2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093405
2-[(Furan-2-carbonyl)-amino]-3-furan-2-yl-acrylic acid
CID 775891
Furan-2-carboxylic acid (2-furan-2-yl-1-hydrazinocarbonyl-vinyl)-amide
CID 775897
N-(2-(2-furyl)-1-{[(2-hydroxyethyl)amino]carbonyl}vinyl)-2-furamide
CID 1714163
fur-2-oyl-Val-N(Et)Gly-NHiPr
CID 2650177

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 5399172) is N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is O=C(NCc1ccco1)/C(=C\c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is YBQNMTCWAUEUQU-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H14N2O5/c20-16(18-11-13-5-2-8-23-13)14(10-12-4-1-7-22-12)19-17(21)15-6-3-9-24-15/h1-10H,11H2,(H,18,20)(H,19,21)/b14-10+.
What are the key properties of N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 5399172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).