N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide

C22H26N2O — CID 142743440

IUPACN-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2c(c1)N(Cc1ccccc1)CC2)C1CCCCC1
InChIInChI=1S/C22H26N2O/c25-22(19-9-5-2-6-10-19)23-20-12-11-18-13-14-24(21(18)15-20)16-17-7-3-1-4-8-17/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,(H,23,25)
InChIKeySGBBPLNWDCSZLZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.77
Rot. Bonds4

About N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide

N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide (PubChem CID 142743440) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide
PubChem CID142743440
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2c(c1)N(Cc1ccccc1)CC2)C1CCCCC1
InChIInChI=1S/C22H26N2O/c25-22(19-9-5-2-6-10-19)23-20-12-11-18-13-14-24(21(18)15-20)16-17-7-3-1-4-8-17/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,(H,23,25)
InChIKeySGBBPLNWDCSZLZ-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide (CID 142743440) is N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide is O=C(Nc1ccc2c(c1)N(Cc1ccccc1)CC2)C1CCCCC1.
What is the InChIKey of N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide?
The InChIKey is SGBBPLNWDCSZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(19-9-5-2-6-10-19)23-20-12-11-18-13-14-24(21(18)15-20)16-17-7-3-1-4-8-17/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,(H,23,25).
What are the key properties of N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide?
N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide has a molecular weight of 334.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 142743440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).