N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide

C22H24N2O2 — CID 56763634

IUPACN-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H24N2O2/c25-21(22(11-16-26-17-12-22)19-7-2-1-3-8-19)23-13-15-24-14-10-18-6-4-5-9-20(18)24/h1-10,14H,11-13,15-17H2,(H,23,25)
InChIKeyKPPQLVFJIDUMMN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.51
Rot. Bonds5

About N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide

N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide (PubChem CID 56763634) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
PubChem CID56763634
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H24N2O2/c25-21(22(11-16-26-17-12-22)19-7-2-1-3-8-19)23-13-15-24-14-10-18-6-4-5-9-20(18)24/h1-10,14H,11-13,15-17H2,(H,23,25)
InChIKeyKPPQLVFJIDUMMN-UHFFFAOYSA-N
XLogP3.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-(3-indol-1-ylpropyl)cyclopentane-1-carboxamide
CID 110907067
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 121087464
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
CID 90613860
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 90516201
4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide
CID 91959194
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide
CID 97414295
N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456804
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768

Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide (CID 56763634) is N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide is O=C(NCCn1ccc2ccccc21)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide?
The InChIKey is KPPQLVFJIDUMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(22(11-16-26-17-12-22)19-7-2-1-3-8-19)23-13-15-24-14-10-18-6-4-5-9-20(18)24/h1-10,14H,11-13,15-17H2,(H,23,25).
What are the key properties of N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide?
N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 56763634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).