(11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C26H31N3O3 — CID 92903497

IUPAC(11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c(C)c1
InChIInChI=1S/C26H31N3O3/c1-16-5-8-19(9-6-16)27-25(31)26(4)15-28-21-11-12-32-23(21)14-22(28)24(30)29(26)20-10-7-17(2)13-18(20)3/h7,10-14,16,19H,5-6,8-9,15H2,1-4H3,(H,27,31)/t16?,19?,26-/m0/s1
InChIKeyQUQMBKPTQGSNIX-GTIOVZTQSA-N
MW433.55 g/mol
LogP4.97
Rot. Bonds3

About (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92903497) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name(11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID92903497
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name(11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c(C)c1
InChIInChI=1S/C26H31N3O3/c1-16-5-8-19(9-6-16)27-25(31)26(4)15-28-21-11-12-32-23(21)14-22(28)24(30)29(26)20-10-7-17(2)13-18(20)3/h7,10-14,16,19H,5-6,8-9,15H2,1-4H3,(H,27,31)/t16?,19?,26-/m0/s1
InChIKeyQUQMBKPTQGSNIX-GTIOVZTQSA-N
XLogP4.97
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-(5-chloro-2-methylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521771
(11R)-N-cycloheptyl-11-methyl-10-(4-methylphenyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721426
(11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737541
(11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737762
(11R)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-10-(2,5-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 93308636
(11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737752
(11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721356
10-cycloheptyl-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46272193
10-(2,5-dimethylphenyl)-4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514806
(11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-10-(4-methylphenyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737920
N-cycloheptyl-10-(4-ethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46272244
(11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737568

Frequently Asked Questions

What is the IUPAC name of (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92903497) is (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.
What is the SMILES notation for (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c(C)c1.
What is the InChIKey of (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is QUQMBKPTQGSNIX-GTIOVZTQSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-16-5-8-19(9-6-16)27-25(31)26(4)15-28-21-11-12-32-23(21)14-22(28)24(30)29(26)20-10-7-17(2)13-18(20)3/h7,10-14,16,19H,5-6,8-9,15H2,1-4H3,(H,27,31)/t16?,19?,26-/m0/s1.
What are the key properties of (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92903497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).