N-(2-phenoxyethyl)-1H-indole-3-carboxamide

C17H16N2O2 — CID 17447492

IUPACN-(2-phenoxyethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c20-17(15-12-19-16-9-5-4-8-14(15)16)18-10-11-21-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,18,20)
InChIKeyDBNRSSRYDRUXKV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.98
Rot. Bonds5

About N-(2-phenoxyethyl)-1H-indole-3-carboxamide

N-(2-phenoxyethyl)-1H-indole-3-carboxamide (PubChem CID 17447492) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-1H-indole-3-carboxamide
PubChem CID17447492
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2-phenoxyethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c20-17(15-12-19-16-9-5-4-8-14(15)16)18-10-11-21-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,18,20)
InChIKeyDBNRSSRYDRUXKV-UHFFFAOYSA-N
XLogP2.98
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.98
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-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
N-(3-methylsulfinylbutyl)-1H-indole-3-carboxamide
CID 115729499
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 2298863
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 84541178
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
N-[4-(3-bromophenoxy)but-2-ynyl]-1H-indole-3-carboxamide
CID 90576568

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-1H-indole-3-carboxamide (CID 17447492) is N-(2-phenoxyethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-1H-indole-3-carboxamide is O=C(NCCOc1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-phenoxyethyl)-1H-indole-3-carboxamide?
The InChIKey is DBNRSSRYDRUXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17(15-12-19-16-9-5-4-8-14(15)16)18-10-11-21-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,18,20).
What are the key properties of N-(2-phenoxyethyl)-1H-indole-3-carboxamide?
N-(2-phenoxyethyl)-1H-indole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 17447492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).