N-(3-ethoxypropyl)-1H-indole-3-carboxamide

C14H18N2O2 — CID 17474567

IUPACN-(3-ethoxypropyl)-1H-indole-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-2-18-9-5-8-15-14(17)12-10-16-13-7-4-3-6-11(12)13/h3-4,6-7,10,16H,2,5,8-9H2,1H3,(H,15,17)
InChIKeyLXZDWAJDFAVJEI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.32
Rot. Bonds6

About N-(3-ethoxypropyl)-1H-indole-3-carboxamide

N-(3-ethoxypropyl)-1H-indole-3-carboxamide (PubChem CID 17474567) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1H-indole-3-carboxamide
PubChem CID17474567
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3-ethoxypropyl)-1H-indole-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-2-18-9-5-8-15-14(17)12-10-16-13-7-4-3-6-11(12)13/h3-4,6-7,10,16H,2,5,8-9H2,1H3,(H,15,17)
InChIKeyLXZDWAJDFAVJEI-UHFFFAOYSA-N
XLogP2.32
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.32
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-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3217749
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(3-ethoxycyclobutyl)-1H-indole-3-carboxamide
CID 102673960
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 84541178
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1H-indole-3-carboxamide (CID 17474567) is N-(3-ethoxypropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1H-indole-3-carboxamide is CCOCCCNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(3-ethoxypropyl)-1H-indole-3-carboxamide?
The InChIKey is LXZDWAJDFAVJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-18-9-5-8-15-14(17)12-10-16-13-7-4-3-6-11(12)13/h3-4,6-7,10,16H,2,5,8-9H2,1H3,(H,15,17).
What are the key properties of N-(3-ethoxypropyl)-1H-indole-3-carboxamide?
N-(3-ethoxypropyl)-1H-indole-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 17474567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).