N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide

C19H26N2O2 — CID 10018537

IUPACN-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(C3CCCCC3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C19H26N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h8-9,12,14,21H,3-7,10-11H2,1-2H3,(H,20,22)
InChIKeyNJCAEUWXAUPHRP-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.90
Rot. Bonds5

About N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide

N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 10018537) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID10018537
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(C3CCCCC3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C19H26N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h8-9,12,14,21H,3-7,10-11H2,1-2H3,(H,20,22)
InChIKeyNJCAEUWXAUPHRP-UHFFFAOYSA-N
XLogP3.90
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 10018537) is N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]c(C3CCCCC3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is NJCAEUWXAUPHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h8-9,12,14,21H,3-7,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclohexyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 10018537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).