N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide

C17H24N2O4 — CID 113211220

IUPACN-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
SMILESCCCCNC(=O)Cc1c[nH]c2cc(OC)c(OC)c(OC)c12
InChIInChI=1S/C17H24N2O4/c1-5-6-7-18-14(20)8-11-10-19-12-9-13(21-2)16(22-3)17(23-4)15(11)12/h9-10,19H,5-8H2,1-4H3,(H,18,20)
InChIKeyXPEHNCKJCNGJJS-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.65
Rot. Bonds8

About N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide

N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide (PubChem CID 113211220) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
PubChem CID113211220
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
SMILESCCCCNC(=O)Cc1c[nH]c2cc(OC)c(OC)c(OC)c12
InChIInChI=1S/C17H24N2O4/c1-5-6-7-18-14(20)8-11-10-19-12-9-13(21-2)16(22-3)17(23-4)15(11)12/h9-10,19H,5-8H2,1-4H3,(H,18,20)
InChIKeyXPEHNCKJCNGJJS-UHFFFAOYSA-N
XLogP2.65
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211295
N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211325
3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
CID 113084619
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113084605
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206727
3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine
CID 83968694
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113084647
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
CID 110769539
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide (CID 113211220) is N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide is CCCCNC(=O)Cc1c[nH]c2cc(OC)c(OC)c(OC)c12.
What is the InChIKey of N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide?
The InChIKey is XPEHNCKJCNGJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-5-6-7-18-14(20)8-11-10-19-12-9-13(21-2)16(22-3)17(23-4)15(11)12/h9-10,19H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide?
N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113211220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).