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

C27H33N3O4 — CID 129420230

IUPAC(11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCOc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1
InChIInChI=1S/C27H33N3O4/c1-17-7-5-10-21(18(17)2)28-26(32)27(3)16-29-22-11-12-34-24(22)14-23(29)25(31)30(27)15-19-8-6-9-20(13-19)33-4/h6,8-9,11-14,17-18,21H,5,7,10,15-16H2,1-4H3,(H,28,32)/t17-,18-,21-,27-/m1/s1
InChIKeyAOYFWLSBOFZCAY-HPIUAIEMSA-N
MW463.58 g/mol
LogP4.60
Rot. Bonds5

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

(11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 129420230) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is (11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-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)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID129420230
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name(11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCOc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1
InChIInChI=1S/C27H33N3O4/c1-17-7-5-10-21(18(17)2)28-26(32)27(3)16-29-22-11-12-34-24(22)14-23(29)25(31)30(27)15-19-8-6-9-20(13-19)33-4/h6,8-9,11-14,17-18,21H,5,7,10,15-16H2,1-4H3,(H,28,32)/t17-,18-,21-,27-/m1/s1
InChIKeyAOYFWLSBOFZCAY-HPIUAIEMSA-N
XLogP4.60
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(11R)-10-[(3-methoxyphenyl)methyl]-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 129420345
(11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-[(4-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92738003
(11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(4-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420321
(11S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 93308721
N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756808
(11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92738095
(11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-[(2-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92738051
(11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,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 92738079
10-[(3-fluorophenyl)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 22521797
(11S)-10-[(3-bromophenyl)methyl]-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 93052341
(11R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-(3-phenylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420317
(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)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-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)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 129420230) is (11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-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)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-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)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is COc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1.
What is the InChIKey of (11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is AOYFWLSBOFZCAY-HPIUAIEMSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-17-7-5-10-21(18(17)2)28-26(32)27(3)16-29-22-11-12-34-24(22)14-23(29)25(31)30(27)15-19-8-6-9-20(13-19)33-4/h6,8-9,11-14,17-18,21H,5,7,10,15-16H2,1-4H3,(H,28,32)/t17-,18-,21-,27-/m1/s1.
What are the key properties of (11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-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 463.58 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(3-methoxyphenyl)methyl]-11-methyl-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 129420230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).