1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide

C26H25N3O3 — CID 108757718

IUPAC1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1=O
InChIInChI=1S/C26H25N3O3/c1-26(2,3)29-16-19(14-21(29)30)24(31)28-25-20(15-27)22(17-10-6-4-7-11-17)23(32-25)18-12-8-5-9-13-18/h4-13,19H,14,16H2,1-3H3,(H,28,31)
InChIKeyVZCVEJZAIIZTHO-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.07
Rot. Bonds4

About 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108757718) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108757718
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1=O
InChIInChI=1S/C26H25N3O3/c1-26(2,3)29-16-19(14-21(29)30)24(31)28-25-20(15-27)22(17-10-6-4-7-11-17)23(32-25)18-12-8-5-9-13-18/h4-13,19H,14,16H2,1-3H3,(H,28,31)
InChIKeyVZCVEJZAIIZTHO-UHFFFAOYSA-N
XLogP5.07
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-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

N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108757719
N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2980638
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
tert-butyl N-[1-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 108757655
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 108757691
2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 108757680
1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108751465
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
(3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9352665
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762179
1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 108757718) is 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1=O.
What is the InChIKey of 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VZCVEJZAIIZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-26(2,3)29-16-19(14-21(29)30)24(31)28-25-20(15-27)22(17-10-6-4-7-11-17)23(32-25)18-12-8-5-9-13-18/h4-13,19H,14,16H2,1-3H3,(H,28,31).
What are the key properties of 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108757718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).