N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide

C17H22N2O3 — CID 142044574

IUPACN-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide
SMILESCCCCCC(=O)NCC(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H22N2O3/c1-3-4-5-6-17(21)19-11-16(20)14-10-18-15-8-7-12(22-2)9-13(14)15/h7-10,18H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyKZTUORIFCOVCDO-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.06
Rot. Bonds8

About N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide

N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide (PubChem CID 142044574) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide
PubChem CID142044574
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide
SMILESCCCCCC(=O)NCC(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H22N2O3/c1-3-4-5-6-17(21)19-11-16(20)14-10-18-15-8-7-12(22-2)9-13(14)15/h7-10,18H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyKZTUORIFCOVCDO-UHFFFAOYSA-N
XLogP3.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.06
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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Related Compounds

1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
CID 43162108
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide (CID 142044574) is N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide is CCCCCC(=O)NCC(=O)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide?
The InChIKey is KZTUORIFCOVCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-4-5-6-17(21)19-11-16(20)14-10-18-15-8-7-12(22-2)9-13(14)15/h7-10,18H,3-6,11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide?
N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide has a molecular weight of 302.37 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide is sourced from PubChem (CID 142044574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).