N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide

C20H23N3O — CID 139821501

IUPACN-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c2c(n1-c1c(C)cc(C)cc1C)CCCC2
InChIInChI=1S/C20H23N3O/c1-12-9-13(2)19(14(3)10-12)23-18-8-6-5-7-16(18)17(11-21)20(23)22-15(4)24/h9-10H,5-8H2,1-4H3,(H,22,24)
InChIKeyMBYGLIARWBFNFY-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.11
Rot. Bonds2

About N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide

N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide (PubChem CID 139821501) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide
PubChem CID139821501
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c2c(n1-c1c(C)cc(C)cc1C)CCCC2
InChIInChI=1S/C20H23N3O/c1-12-9-13(2)19(14(3)10-12)23-18-8-6-5-7-16(18)17(11-21)20(23)22-15(4)24/h9-10H,5-8H2,1-4H3,(H,22,24)
InChIKeyMBYGLIARWBFNFY-UHFFFAOYSA-N
XLogP4.11
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide with MolForge

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Related Compounds

N-(3-Cyano-4,6-dimethyl-pyridin-2-yl)-N-p-tolyl-acetamide
CID 781001
N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropanamide
CID 3440133
Acetamide, N-(3-ethyl-1-phenyl-1H-indol-2-yl)-
CID 540574
N-[3-cyano-6-(2-methylpropyl)-4-phenylpyridin-2-yl]acetamide
CID 916003
2-Propenamide, N-(3-methyl-1-phenyl-1H-indol-2-yl)-3-phenyl-
CID 6448454
2-chloro-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)acetamide
CID 28819442
N-(3-cyano-1-cyclohexyl-4,5-diphenylpyrrol-2-yl)acetamide
CID 1724237
N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide
CID 3797849
N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)acetamide
CID 145960646
N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
CID 711450
2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile
CID 401908
1-acetyl-2-amino-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
CID 3821988

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide?
The IUPAC name of N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide (CID 139821501) is N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide.
What is the SMILES notation for N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide?
The canonical SMILES for N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide is CC(=O)Nc1c(C#N)c2c(n1-c1c(C)cc(C)cc1C)CCCC2.
What is the InChIKey of N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide?
The InChIKey is MBYGLIARWBFNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-12-9-13(2)19(14(3)10-12)23-18-8-6-5-7-16(18)17(11-21)20(23)22-15(4)24/h9-10H,5-8H2,1-4H3,(H,22,24).
What are the key properties of N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide?
N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-2-yl]acetamide is sourced from PubChem (CID 139821501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).