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

C27H33N3O3 — CID 99762084

IUPAC(11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C
InChIInChI=1S/C27H33N3O3/c1-16-8-6-10-20(18(16)3)28-26(32)27(5)15-29-22-12-13-33-24(22)14-23(29)25(31)30(27)21-11-7-9-17(2)19(21)4/h7,9,11-14,16,18,20H,6,8,10,15H2,1-5H3,(H,28,32)/t16-,18+,20-,27-/m1/s1
InChIKeyOGSNZCWXZMEMQV-HHFIFDNYSA-N
MW447.58 g/mol
LogP5.21
Rot. Bonds3

About (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 99762084) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID99762084
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name(11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C
InChIInChI=1S/C27H33N3O3/c1-16-8-6-10-20(18(16)3)28-26(32)27(5)15-29-22-12-13-33-24(22)14-23(29)25(31)30(27)21-11-7-9-17(2)19(21)4/h7,9,11-14,16,18,20H,6,8,10,15H2,1-5H3,(H,28,32)/t16-,18+,20-,27-/m1/s1
InChIKeyOGSNZCWXZMEMQV-HHFIFDNYSA-N
XLogP5.21
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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

N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756821
(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
(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
(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
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
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
10-cyclohexyl-N-[(1R)-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 71219796
(11R)-10-cycloheptyl-N-[(1S,2R,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 92738108
(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
(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
(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
(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

Frequently Asked Questions

What is the IUPAC name of (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 99762084) is (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C.
What is the InChIKey of (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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 OGSNZCWXZMEMQV-HHFIFDNYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-16-8-6-10-20(18(16)3)28-26(32)27(5)15-29-22-12-13-33-24(22)14-23(29)25(31)30(27)21-11-7-9-17(2)19(21)4/h7,9,11-14,16,18,20H,6,8,10,15H2,1-5H3,(H,28,32)/t16-,18+,20-,27-/m1/s1.
What are the key properties of (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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 447.58 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-10-(2,3-dimethylphenyl)-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 99762084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).