N-(3-butoxypropyl)-1H-indole-5-carboxamide

C16H22N2O2 — CID 115618115

IUPACN-(3-butoxypropyl)-1H-indole-5-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O2/c1-2-3-10-20-11-4-8-18-16(19)14-5-6-15-13(12-14)7-9-17-15/h5-7,9,12,17H,2-4,8,10-11H2,1H3,(H,18,19)
InChIKeyZFOCZFHVOLLHNN-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.10
Rot. Bonds8

About N-(3-butoxypropyl)-1H-indole-5-carboxamide

N-(3-butoxypropyl)-1H-indole-5-carboxamide (PubChem CID 115618115) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-butoxypropyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-1H-indole-5-carboxamide
PubChem CID115618115
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-butoxypropyl)-1H-indole-5-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O2/c1-2-3-10-20-11-4-8-18-16(19)14-5-6-15-13(12-14)7-9-17-15/h5-7,9,12,17H,2-4,8,10-11H2,1H3,(H,18,19)
InChIKeyZFOCZFHVOLLHNN-UHFFFAOYSA-N
XLogP3.10
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
hexyl 1H-indole-5-carboxylate
CID 90708672
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-1H-indole-5-carboxamide (CID 115618115) is N-(3-butoxypropyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-1H-indole-5-carboxamide is CCCCOCCCNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(3-butoxypropyl)-1H-indole-5-carboxamide?
The InChIKey is ZFOCZFHVOLLHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-10-20-11-4-8-18-16(19)14-5-6-15-13(12-14)7-9-17-15/h5-7,9,12,17H,2-4,8,10-11H2,1H3,(H,18,19).
What are the key properties of N-(3-butoxypropyl)-1H-indole-5-carboxamide?
N-(3-butoxypropyl)-1H-indole-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 115618115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).