N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide

C20H20N2O2 — CID 56763708

IUPACN-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H20N2O2/c23-19(22-17-6-7-18-15(14-17)8-11-21-18)20(9-12-24-13-10-20)16-4-2-1-3-5-16/h1-8,11,14,21H,9-10,12-13H2,(H,22,23)
InChIKeyVHAUVQTYKMNTCU-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.85
Rot. Bonds3

About N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide

N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide (PubChem CID 56763708) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide
PubChem CID56763708
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H20N2O2/c23-19(22-17-6-7-18-15(14-17)8-11-21-18)20(9-12-24-13-10-20)16-4-2-1-3-5-16/h1-8,11,14,21H,9-10,12-13H2,(H,22,23)
InChIKeyVHAUVQTYKMNTCU-UHFFFAOYSA-N
XLogP3.85
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide
CID 27456004
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941797
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
1-(aminomethyl)-N-(1H-indol-5-yl)cyclopentane-1-carboxamide
CID 81489854
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide
CID 56508324
N-(1H-indol-5-yl)-2-(oxetan-3-yl)acetamide
CID 112526005
N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide
CID 142886363
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
CID 39932989
2-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240738

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide (CID 56763708) is N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide?
The InChIKey is VHAUVQTYKMNTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(22-17-6-7-18-15(14-17)8-11-21-18)20(9-12-24-13-10-20)16-4-2-1-3-5-16/h1-8,11,14,21H,9-10,12-13H2,(H,22,23).
What are the key properties of N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide?
N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 56763708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).