N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide

C18H27N3O — CID 142041983

IUPACN-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide
SMILESCCc1cn(CC(=O)NCCCCCCN)c2ccccc12
InChIInChI=1S/C18H27N3O/c1-2-15-13-21(17-10-6-5-9-16(15)17)14-18(22)20-12-8-4-3-7-11-19/h5-6,9-10,13H,2-4,7-8,11-12,14,19H2,1H3,(H,20,22)
InChIKeyFDLFWWTWKZKJGR-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.84
Rot. Bonds9

About N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide

N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide (PubChem CID 142041983) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide
PubChem CID142041983
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide
SMILESCCc1cn(CC(=O)NCCCCCCN)c2ccccc12
InChIInChI=1S/C18H27N3O/c1-2-15-13-21(17-10-6-5-9-16(15)17)14-18(22)20-12-8-4-3-7-11-19/h5-6,9-10,13H,2-4,7-8,11-12,14,19H2,1H3,(H,20,22)
InChIKeyFDLFWWTWKZKJGR-UHFFFAOYSA-N
XLogP2.84
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide?
The IUPAC name of N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide (CID 142041983) is N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide.
What is the SMILES notation for N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide?
The canonical SMILES for N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide is CCc1cn(CC(=O)NCCCCCCN)c2ccccc12.
What is the InChIKey of N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide?
The InChIKey is FDLFWWTWKZKJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-15-13-21(17-10-6-5-9-16(15)17)14-18(22)20-12-8-4-3-7-11-19/h5-6,9-10,13H,2-4,7-8,11-12,14,19H2,1H3,(H,20,22).
What are the key properties of N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide?
N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide has a molecular weight of 301.43 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide is sourced from PubChem (CID 142041983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).