2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone

C18H24N2O2 — CID 664450

IUPAC2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(=O)CN(C)C3CCCCC3)c[nH]c2c1
InChIInChI=1S/C18H24N2O2/c1-20(13-6-4-3-5-7-13)12-18(21)16-11-19-17-10-14(22-2)8-9-15(16)17/h8-11,13,19H,3-7,12H2,1-2H3
InChIKeyYDJJOCDUSSPQRQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.62
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone

2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone (PubChem CID 664450) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone
PubChem CID664450
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(=O)CN(C)C3CCCCC3)c[nH]c2c1
InChIInChI=1S/C18H24N2O2/c1-20(13-6-4-3-5-7-13)12-18(21)16-11-19-17-10-14(22-2)8-9-15(16)17/h8-11,13,19H,3-7,12H2,1-2H3
InChIKeyYDJJOCDUSSPQRQ-UHFFFAOYSA-N
XLogP3.62
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone (CID 664450) is 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone is COc1ccc2c(C(=O)CN(C)C3CCCCC3)c[nH]c2c1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is YDJJOCDUSSPQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-20(13-6-4-3-5-7-13)12-18(21)16-11-19-17-10-14(22-2)8-9-15(16)17/h8-11,13,19H,3-7,12H2,1-2H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone?
2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 300.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-1-(6-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 664450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).