N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

C24H28N2O3 — CID 60614816

IUPACN-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3ccc(OC4CCCCC4)cc3)c2c1
InChIInChI=1S/C24H28N2O3/c1-28-21-11-12-23-22(14-21)18(16-25-23)13-24(27)26-15-17-7-9-20(10-8-17)29-19-5-3-2-4-6-19/h7-12,14,16,19,25H,2-6,13,15H2,1H3,(H,26,27)
InChIKeyXZJCQAOWRCRRHC-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.75
Rot. Bonds7

About N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 60614816) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID60614816
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3ccc(OC4CCCCC4)cc3)c2c1
InChIInChI=1S/C24H28N2O3/c1-28-21-11-12-23-22(14-21)18(16-25-23)13-24(27)26-15-17-7-9-20(10-8-17)29-19-5-3-2-4-6-19/h7-12,14,16,19,25H,2-6,13,15H2,1H3,(H,26,27)
InChIKeyXZJCQAOWRCRRHC-UHFFFAOYSA-N
XLogP4.75
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60610770
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873256
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86985838
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954997
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 60614816) is N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)NCc3ccc(OC4CCCCC4)cc3)c2c1.
What is the InChIKey of N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is XZJCQAOWRCRRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-21-11-12-23-22(14-21)18(16-25-23)13-24(27)26-15-17-7-9-20(10-8-17)29-19-5-3-2-4-6-19/h7-12,14,16,19,25H,2-6,13,15H2,1H3,(H,26,27).
What are the key properties of N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 60614816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).