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

C23H34N2O2 — CID 78342584

IUPAC4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide
SMILESCC1CCC2CC(CCNC(=O)c3ccc(C(C)(C)C)cc3)C(=O)NC2C1
InChIInChI=1S/C23H34N2O2/c1-15-5-6-17-14-18(22(27)25-20(17)13-15)11-12-24-21(26)16-7-9-19(10-8-16)23(2,3)4/h7-10,15,17-18,20H,5-6,11-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyZSCXNFBCTSPWCG-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.04
Rot. Bonds4

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

4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide (PubChem CID 78342584) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide
PubChem CID78342584
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide
SMILESCC1CCC2CC(CCNC(=O)c3ccc(C(C)(C)C)cc3)C(=O)NC2C1
InChIInChI=1S/C23H34N2O2/c1-15-5-6-17-14-18(22(27)25-20(17)13-15)11-12-24-21(26)16-7-9-19(10-8-16)23(2,3)4/h7-10,15,17-18,20H,5-6,11-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyZSCXNFBCTSPWCG-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide with MolForge

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Related Compounds

N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 78344231
5-chloro-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]-2-nitrobenzamide
CID 78444062
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
4-tert-butyl-N-nonylbenzamide
CID 4642451
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 110732273
N-(2-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768
4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide
CID 78387009
4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 6938267
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide (CID 78342584) is 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide is CC1CCC2CC(CCNC(=O)c3ccc(C(C)(C)C)cc3)C(=O)NC2C1.
What is the InChIKey of 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide?
The InChIKey is ZSCXNFBCTSPWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-15-5-6-17-14-18(22(27)25-20(17)13-15)11-12-24-21(26)16-7-9-19(10-8-16)23(2,3)4/h7-10,15,17-18,20H,5-6,11-14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide?
4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide has a molecular weight of 370.54 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(7-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]benzamide is sourced from PubChem (CID 78342584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).