2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide

C29H28N2O2 — CID 108757680

IUPAC2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H28N2O2/c30-18-24-26(22-7-3-1-4-8-22)27(23-9-5-2-6-10-23)33-28(24)31-25(32)17-29-14-19-11-20(15-29)13-21(12-19)16-29/h1-10,19-21H,11-17H2,(H,31,32)
InChIKeyFJSKKYCEBNJVLB-UHFFFAOYSA-N
MW436.56 g/mol
LogP7.03
Rot. Bonds5

About 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide

2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide (PubChem CID 108757680) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
PubChem CID108757680
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H28N2O2/c30-18-24-26(22-7-3-1-4-8-22)27(23-9-5-2-6-10-23)33-28(24)31-25(32)17-29-14-19-11-20(15-29)13-21(12-19)16-29/h1-10,19-21H,11-17H2,(H,31,32)
InChIKeyFJSKKYCEBNJVLB-UHFFFAOYSA-N
XLogP7.03
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(1-adamantyl)acetate
CID 23993077
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
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)-2-quinolin-2-ylsulfanylacetamide
CID 39765916
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475392
1-tert-butyl-N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108757718

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide (CID 108757680) is 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide is N#Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
The InChIKey is FJSKKYCEBNJVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c30-18-24-26(22-7-3-1-4-8-22)27(23-9-5-2-6-10-23)33-28(24)31-25(32)17-29-14-19-11-20(15-29)13-21(12-19)16-29/h1-10,19-21H,11-17H2,(H,31,32).
What are the key properties of 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide is sourced from PubChem (CID 108757680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).