N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide

C15H20N2O3 — CID 79547180

IUPACN-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
SMILESCCOC(CNC(=O)c1c[nH]c2ccccc12)OCC
InChIInChI=1S/C15H20N2O3/c1-3-19-14(20-4-2)10-17-15(18)12-9-16-13-8-6-5-7-11(12)13/h5-9,14,16H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyLSKCJSIDABKSAJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.30
Rot. Bonds7

About N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide

N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide (PubChem CID 79547180) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
PubChem CID79547180
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
SMILESCCOC(CNC(=O)c1c[nH]c2ccccc12)OCC
InChIInChI=1S/C15H20N2O3/c1-3-19-14(20-4-2)10-17-15(18)12-9-16-13-8-6-5-7-11(12)13/h5-9,14,16H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyLSKCJSIDABKSAJ-UHFFFAOYSA-N
XLogP2.30
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diethoxyethyl)-1H-indole-4-carboxamide
CID 79548414
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
CID 112723140
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide (CID 79547180) is N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide is CCOC(CNC(=O)c1c[nH]c2ccccc12)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide?
The InChIKey is LSKCJSIDABKSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-19-14(20-4-2)10-17-15(18)12-9-16-13-8-6-5-7-11(12)13/h5-9,14,16H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide?
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 79547180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).