N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide

C25H31N3O — CID 90754095

IUPACN-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide
SMILESCc1ccc(-c2ccc3c(CC(=O)NCCN4CCCCCC4)c[nH]c3c2)cc1
InChIInChI=1S/C25H31N3O/c1-19-6-8-20(9-7-19)21-10-11-23-22(18-27-24(23)16-21)17-25(29)26-12-15-28-13-4-2-3-5-14-28/h6-11,16,18,27H,2-5,12-15,17H2,1H3,(H,26,29)
InChIKeyHOZLSOZWXCUCOA-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.68
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide

N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide (PubChem CID 90754095) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide
PubChem CID90754095
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide
SMILESCc1ccc(-c2ccc3c(CC(=O)NCCN4CCCCCC4)c[nH]c3c2)cc1
InChIInChI=1S/C25H31N3O/c1-19-6-8-20(9-7-19)21-10-11-23-22(18-27-24(23)16-21)17-25(29)26-12-15-28-13-4-2-3-5-14-28/h6-11,16,18,27H,2-5,12-15,17H2,1H3,(H,26,29)
InChIKeyHOZLSOZWXCUCOA-UHFFFAOYSA-N
XLogP4.68
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86944940
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111973628
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide
CID 69405463
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
N-[(1-hydroxycyclobutyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 111444945
2-(1H-indol-3-yl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110743638
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide
CID 69405813
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide (CID 90754095) is N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide is Cc1ccc(-c2ccc3c(CC(=O)NCCN4CCCCCC4)c[nH]c3c2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide?
The InChIKey is HOZLSOZWXCUCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-19-6-8-20(9-7-19)21-10-11-23-22(18-27-24(23)16-21)17-25(29)26-12-15-28-13-4-2-3-5-14-28/h6-11,16,18,27H,2-5,12-15,17H2,1H3,(H,26,29).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide?
N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide has a molecular weight of 389.54 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 90754095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).