molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide

C31H41N3O2 — CID 143672624

IUPACmolecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3nnc(CCc4ccc(NC(=O)C5CCCCC5)cc4)o3)ccc21.[H][H]
InChIInChI=1S/C31H39N3O2.H2/c1-30(2)18-19-31(3,4)26-20-23(13-16-25(26)30)29-34-33-27(36-29)17-12-21-10-14-24(15-11-21)32-28(35)22-8-6-5-7-9-22;/h10-11,13-16,20,22H,5-9,12,17-19H2,1-4H3,(H,32,35);1H
InChIKeyCUGGCKBLDORTMZ-UHFFFAOYSA-N
MW487.69 g/mol
LogP7.64
Rot. Bonds6

About molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide

molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide (PubChem CID 143672624) has the molecular formula C31H41N3O2 and a molecular weight of 487.69 g/mol. Its IUPAC name is molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide
PubChem CID143672624
Molecular FormulaC31H41N3O2
Molecular Weight487.69 g/mol
Exact Mass487.32
IUPAC Namemolecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3nnc(CCc4ccc(NC(=O)C5CCCCC5)cc4)o3)ccc21.[H][H]
InChIInChI=1S/C31H39N3O2.H2/c1-30(2)18-19-31(3,4)26-20-23(13-16-25(26)30)29-34-33-27(36-29)17-12-21-10-14-24(15-11-21)32-28(35)22-8-6-5-7-9-22;/h10-11,13-16,20,22H,5-9,12,17-19H2,1-4H3,(H,32,35);1H
InChIKeyCUGGCKBLDORTMZ-UHFFFAOYSA-N
XLogP7.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.69
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide (CID 143672624) is molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide is CC1(C)CCC(C)(C)c2cc(-c3nnc(CCc4ccc(NC(=O)C5CCCCC5)cc4)o3)ccc21.[H][H].
What is the InChIKey of molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide?
The InChIKey is CUGGCKBLDORTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O2.H2/c1-30(2)18-19-31(3,4)26-20-23(13-16-25(26)30)29-34-33-27(36-29)17-12-21-10-14-24(15-11-21)32-28(35)22-8-6-5-7-9-22;/h10-11,13-16,20,22H,5-9,12,17-19H2,1-4H3,(H,32,35);1H.
What are the key properties of molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide?
molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide has a molecular weight of 487.69 g/mol, XLogP of 7.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[4-[2-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 143672624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).