4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide

C22H32N2O2 — CID 75280461

IUPAC4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3ccc(C(C)(C)C)cc3)CCC12
InChIInChI=1S/C22H32N2O2/c1-5-14-12-20(25)24-19-13-17(10-11-18(14)19)23-21(26)15-6-8-16(9-7-15)22(2,3)4/h6-9,14,17-19H,5,10-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyPCUGHQGOLYLPBL-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.80
Rot. Bonds3

About 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide

4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide (PubChem CID 75280461) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
PubChem CID75280461
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3ccc(C(C)(C)C)cc3)CCC12
InChIInChI=1S/C22H32N2O2/c1-5-14-12-20(25)24-19-13-17(10-11-18(14)19)23-21(26)15-6-8-16(9-7-15)22(2,3)4/h6-9,14,17-19H,5,10-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyPCUGHQGOLYLPBL-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478
4-chloro-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278993
2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280483
4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide
CID 78387009
4-(diethylsulfamoyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75280052
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide
CID 75280128
N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide
CID 75279813
3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279124
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 75280400
2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278967
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 75280528
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 75280616

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide (CID 75280461) is 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide is CCC1CC(=O)NC2CC(NC(=O)c3ccc(C(C)(C)C)cc3)CCC12.
What is the InChIKey of 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The InChIKey is PCUGHQGOLYLPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-5-14-12-20(25)24-19-13-17(10-11-18(14)19)23-21(26)15-6-8-16(9-7-15)22(2,3)4/h6-9,14,17-19H,5,10-13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide has a molecular weight of 356.51 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide is sourced from PubChem (CID 75280461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).