N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide

C18H23N3O — CID 41084125

IUPACN-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C18H23N3O/c1-14-11-15-7-3-4-8-16(15)21(14)12-17(22)20-18(13-19)9-5-2-6-10-18/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyFJBIBPCZNLUZBM-CQSZACIVSA-N
MW297.40 g/mol
LogP2.78
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide

N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 41084125) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID41084125
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C18H23N3O/c1-14-11-15-7-3-4-8-16(15)21(14)12-17(22)20-18(13-19)9-5-2-6-10-18/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyFJBIBPCZNLUZBM-CQSZACIVSA-N
XLogP2.78
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide (CID 41084125) is N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide is C[C@@H]1Cc2ccccc2N1CC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is FJBIBPCZNLUZBM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-11-15-7-3-4-8-16(15)21(14)12-17(22)20-18(13-19)9-5-2-6-10-18/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 41084125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).