4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide

C21H27N3O2 — CID 90613860

IUPAC4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCn1ncc2c1CCCC2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H27N3O2/c25-20(21(10-14-26-15-11-21)18-7-2-1-3-8-18)22-12-13-24-19-9-5-4-6-17(19)16-23-24/h1-3,7-8,16H,4-6,9-15H2,(H,22,25)
InChIKeyJYZMASVKNGEZSH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.63
Rot. Bonds5

About 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide

4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide (PubChem CID 90613860) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
PubChem CID90613860
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCn1ncc2c1CCCC2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H27N3O2/c25-20(21(10-14-26-15-11-21)18-7-2-1-3-8-18)22-12-13-24-19-9-5-4-6-17(19)16-23-24/h1-3,7-8,16H,4-6,9-15H2,(H,22,25)
InChIKeyJYZMASVKNGEZSH-UHFFFAOYSA-N
XLogP2.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613849
2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613758
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 121087464
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90613700
N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
CID 56763634
4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide
CID 91959194
2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90613712
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide
CID 91813405
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea
CID 90615402
1-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90613922
N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopentane-1-carboxamide
CID 6987548
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide (CID 90613860) is 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide is O=C(NCCn1ncc2c1CCCC2)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide?
The InChIKey is JYZMASVKNGEZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20(21(10-14-26-15-11-21)18-7-2-1-3-8-18)22-12-13-24-19-9-5-4-6-17(19)16-23-24/h1-3,7-8,16H,4-6,9-15H2,(H,22,25).
What are the key properties of 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide?
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 90613860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).