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

C26H31N3O5 — CID 129420362

IUPAC(11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC
InChIInChI=1S/C26H31N3O5/c1-16-7-5-6-8-18(16)27-25(31)26(2)15-28-19-11-12-34-22(19)14-20(28)24(30)29(26)17-9-10-21(32-3)23(13-17)33-4/h9-14,16,18H,5-8,15H2,1-4H3,(H,27,31)/t16-,18+,26-/m1/s1
InChIKeyOJGNFFMYROLWPQ-NWJQHBQLSA-N
MW465.55 g/mol
LogP4.37
Rot. Bonds5

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

(11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 129420362) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is (11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-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(11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID129420362
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name(11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC
InChIInChI=1S/C26H31N3O5/c1-16-7-5-6-8-18(16)27-25(31)26(2)15-28-19-11-12-34-22(19)14-20(28)24(30)29(26)17-9-10-21(32-3)23(13-17)33-4/h9-14,16,18H,5-8,15H2,1-4H3,(H,27,31)/t16-,18+,26-/m1/s1
InChIKeyOJGNFFMYROLWPQ-NWJQHBQLSA-N
XLogP4.37
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(3,4-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756799
(11R)-10-(3-chloro-4-methoxyphenyl)-11-methyl-N-[(1R,2S)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903539
(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
(11R)-10-(2,5-dimethoxyphenyl)-11-methyl-N-[(1R,2S)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903523
10-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 71172274
(11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1R,2S)-2-methylcyclohexyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903358
(11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-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 92738066
10-[(2-methoxyphenyl)methyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756812
10-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 71172192
(11S)-10-(4-chlorophenyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129419731
(11R)-10-[2-(2,4-dimethoxyphenyl)ethyl]-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420373
(11R)-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-10-[(4-methylphenyl)methyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737882

Frequently Asked Questions

What is the IUPAC name of (11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-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 (11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 129420362) is (11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-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 (11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-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 (11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is COc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC.
What is the InChIKey of (11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is OJGNFFMYROLWPQ-NWJQHBQLSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-16-7-5-6-8-18(16)27-25(31)26(2)15-28-19-11-12-34-22(19)14-20(28)24(30)29(26)17-9-10-21(32-3)23(13-17)33-4/h9-14,16,18H,5-8,15H2,1-4H3,(H,27,31)/t16-,18+,26-/m1/s1.
What are the key properties of (11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-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 465.55 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-10-(3,4-dimethoxyphenyl)-11-methyl-N-[(1S,2R)-2-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 129420362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).