N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide

C30H23N3O4 — CID 108757691

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H23N3O4/c1-18(2)25(33-29(35)21-15-9-10-16-22(21)30(33)36)27(34)32-28-23(17-31)24(19-11-5-3-6-12-19)26(37-28)20-13-7-4-8-14-20/h3-16,18,25H,1-2H3,(H,32,34)
InChIKeyLQVCACUPAUQURO-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.74
Rot. Bonds6

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (PubChem CID 108757691) has the molecular formula C30H23N3O4 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
PubChem CID108757691
Molecular FormulaC30H23N3O4
Molecular Weight489.53 g/mol
Exact Mass489.17
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H23N3O4/c1-18(2)25(33-29(35)21-15-9-10-16-22(21)30(33)36)27(34)32-28-23(17-31)24(19-11-5-3-6-12-19)26(37-28)20-13-7-4-8-14-20/h3-16,18,25H,1-2H3,(H,32,34)
InChIKeyLQVCACUPAUQURO-UHFFFAOYSA-N
XLogP5.74
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
CID 2422829
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108762929
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 1182064
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)butanamide
CID 46303766
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 3350229
N-(3-cyano-4,5-diphenylfuran-2-yl)methanesulfonamide
CID 108781743

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (CID 108757691) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is CC(C)C(C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The InChIKey is LQVCACUPAUQURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O4/c1-18(2)25(33-29(35)21-15-9-10-16-22(21)30(33)36)27(34)32-28-23(17-31)24(19-11-5-3-6-12-19)26(37-28)20-13-7-4-8-14-20/h3-16,18,25H,1-2H3,(H,32,34).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide has a molecular weight of 489.53 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 108757691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).