N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C18H24N2O3 — CID 84857380

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H24N2O3/c1-12(2)18(5,11-19)20-15(21)10-22-14-8-6-7-13-9-17(3,4)23-16(13)14/h6-8,12H,9-10H2,1-5H3,(H,20,21)
InChIKeyTUOQYLOLTUZBBK-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.83
Rot. Bonds5

About N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 84857380) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID84857380
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H24N2O3/c1-12(2)18(5,11-19)20-15(21)10-22-14-8-6-7-13-9-17(3,4)23-16(13)14/h6-8,12H,9-10H2,1-5H3,(H,20,21)
InChIKeyTUOQYLOLTUZBBK-UHFFFAOYSA-N
XLogP2.83
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide with MolForge

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Related Compounds

[(1S)-1-cyanoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855724
1-tert-butyl-3-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]thiourea
CID 4670947
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide
CID 78773150
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-bis(2-methylpropyl)acetamide
CID 8551074
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-propan-2-yl-2-pyridinyl)acetamide
CID 147150621
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 90523049
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548053
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 84857380) is N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is CC(C)C(C)(C#N)NC(=O)COc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is TUOQYLOLTUZBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)18(5,11-19)20-15(21)10-22-14-8-6-7-13-9-17(3,4)23-16(13)14/h6-8,12H,9-10H2,1-5H3,(H,20,21).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 84857380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).