(E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide

C26H31N3O4 — CID 144927815

IUPAC(E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide
SMILESC=c1cc(-c2ccc(/C=C(\C#N)C(=O)NCC(O)CO)o2)cc/c1=C\C(=C/C)N(CC)CC
InChIInChI=1S/C26H31N3O4/c1-5-22(29(6-2)7-3)13-19-8-9-20(12-18(19)4)25-11-10-24(33-25)14-21(15-27)26(32)28-16-23(31)17-30/h5,8-14,23,30-31H,4,6-7,16-17H2,1-3H3,(H,28,32)/b19-13-,21-14+,22-5-
InChIKeyWDZLOPOWXDUNDT-LCGXDFIJSA-N
MW449.55 g/mol
LogP1.76
Rot. Bonds10

About (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide

(E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide (PubChem CID 144927815) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide
PubChem CID144927815
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name(E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide
SMILESC=c1cc(-c2ccc(/C=C(\C#N)C(=O)NCC(O)CO)o2)cc/c1=C\C(=C/C)N(CC)CC
InChIInChI=1S/C26H31N3O4/c1-5-22(29(6-2)7-3)13-19-8-9-20(12-18(19)4)25-11-10-24(33-25)14-21(15-27)26(32)28-16-23(31)17-30/h5,8-14,23,30-31H,4,6-7,16-17H2,1-3H3,(H,28,32)/b19-13-,21-14+,22-5-
InChIKeyWDZLOPOWXDUNDT-LCGXDFIJSA-N
XLogP1.76
TPSA109.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide 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

(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]furan-2-yl]-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 159789552
(Z)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-ethylprop-2-enamide
CID 34314256
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N,N-diethylprop-2-enamide
CID 1050401
(E)-N-butyl-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 7515934
2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide
CID 4710196
(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2,3-dihydroxypropyl)-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]prop-2-enamide;(E)-1-cyano-N-(2-hydroxybutyl)-2-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]ethenesulfonamide;(E)-2-cyano-N-(2-hydroxybutyl)-3-[5-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]furan-2-yl]prop-2-enamide
CID 167710615
(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]thiophen-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 118400972
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 4736381
(E)-2-cyano-3-[5-[(4Z)-4-[2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]thiophen-2-yl]but-2-enamide
CID 145041417
ethyl 4-[5-[(Z)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]furan-2-yl]benzoate
CID 124661670
(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 126023538
methyl 4-[5-[2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 782487

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide (CID 144927815) is (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide is C=c1cc(-c2ccc(/C=C(\C#N)C(=O)NCC(O)CO)o2)cc/c1=C\C(=C/C)N(CC)CC.
What is the InChIKey of (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide?
The InChIKey is WDZLOPOWXDUNDT-LCGXDFIJSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-5-22(29(6-2)7-3)13-19-8-9-20(12-18(19)4)25-11-10-24(33-25)14-21(15-27)26(32)28-16-23(31)17-30/h5,8-14,23,30-31H,4,6-7,16-17H2,1-3H3,(H,28,32)/b19-13-,21-14+,22-5-.
What are the key properties of (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide?
(E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide has a molecular weight of 449.55 g/mol, XLogP of 1.76, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-[(4Z)-4-[(E)-2-(diethylamino)but-2-enylidene]-3-methylidenecyclohexa-1,5-dien-1-yl]furan-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide is sourced from PubChem (CID 144927815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).