ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one

C18H30N2O — CID 54156679

IUPACethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one
SMILESCC.C[C@@H]1CCc2ccccc2N(C)C(C)(C)C(=O)N1C
InChIInChI=1S/C16H24N2O.C2H6/c1-12-10-11-13-8-6-7-9-14(13)18(5)16(2,3)15(19)17(12)4;1-2/h6-9,12H,10-11H2,1-5H3;1-2H3/t12-;/m1./s1
InChIKeyOLOPMOJBFSZZKY-UTONKHPSSA-N
MW290.45 g/mol
LogP3.72
Rot. Bonds

About ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one

ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one (PubChem CID 54156679) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one.

Molecular Properties

Compound Nameethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one
PubChem CID54156679
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Nameethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one
SMILESCC.C[C@@H]1CCc2ccccc2N(C)C(C)(C)C(=O)N1C
InChIInChI=1S/C16H24N2O.C2H6/c1-12-10-11-13-8-6-7-9-14(13)18(5)16(2,3)15(19)17(12)4;1-2/h6-9,12H,10-11H2,1-5H3;1-2H3/t12-;/m1./s1
InChIKeyOLOPMOJBFSZZKY-UTONKHPSSA-N
XLogP3.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one?
The IUPAC name of ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one (CID 54156679) is ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one.
What is the SMILES notation for ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one?
The canonical SMILES for ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one is CC.C[C@@H]1CCc2ccccc2N(C)C(C)(C)C(=O)N1C.
What is the InChIKey of ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one?
The InChIKey is OLOPMOJBFSZZKY-UTONKHPSSA-N. The full InChI is InChI=1S/C16H24N2O.C2H6/c1-12-10-11-13-8-6-7-9-14(13)18(5)16(2,3)15(19)17(12)4;1-2/h6-9,12H,10-11H2,1-5H3;1-2H3/t12-;/m1./s1.
What are the key properties of ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one?
ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one has a molecular weight of 290.45 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one is sourced from PubChem (CID 54156679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).