N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide

C14H19N3O2 — CID 83040136

IUPACN-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
SMILESCOCCNCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-19-9-8-15-6-7-17-14(18)12-3-2-11-4-5-16-13(11)10-12/h2-5,10,15-16H,6-9H2,1H3,(H,17,18)
InChIKeyZCOJLORSCVFMNV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.13
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide

N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide (PubChem CID 83040136) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
PubChem CID83040136
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
SMILESCOCCNCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-19-9-8-15-6-7-17-14(18)12-3-2-11-4-5-16-13(11)10-12/h2-5,10,15-16H,6-9H2,1H3,(H,17,18)
InChIKeyZCOJLORSCVFMNV-UHFFFAOYSA-N
XLogP1.13
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide
CID 103528166
N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
CID 47343118
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide (CID 83040136) is N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide is COCCNCCNC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide?
The InChIKey is ZCOJLORSCVFMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-9-8-15-6-7-17-14(18)12-3-2-11-4-5-16-13(11)10-12/h2-5,10,15-16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 83040136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).