(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

C28H35N3O5 — CID 129420373

IUPAC(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
SMILESCOc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c(OC)c1
InChIInChI=1S/C28H35N3O5/c1-18-7-5-6-8-21(18)29-27(33)28(2)17-30-22-12-14-36-25(22)16-23(30)26(32)31(28)13-11-19-9-10-20(34-3)15-24(19)35-4/h9-10,12,14-16,18,21H,5-8,11,13,17H2,1-4H3,(H,29,33)/t18-,21-,28-/m1/s1
InChIKeyPPFPNEPVAVRBFK-PNLFWNEXSA-N
MW493.60 g/mol
LogP4.40
Rot. Bonds7

About (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

(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 (PubChem CID 129420373) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129420373
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC Name(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
SMILESCOc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c(OC)c1
InChIInChI=1S/C28H35N3O5/c1-18-7-5-6-8-21(18)29-27(33)28(2)17-30-22-12-14-36-25(22)16-23(30)26(32)31(28)13-11-19-9-10-20(34-3)15-24(19)35-4/h9-10,12,14-16,18,21H,5-8,11,13,17H2,1-4H3,(H,29,33)/t18-,21-,28-/m1/s1
InChIKeyPPFPNEPVAVRBFK-PNLFWNEXSA-N
XLogP4.40
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(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-[(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
(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)-10-(3-ethoxypropyl)-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 129420241
(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
11-methyl-N-(2-methylcyclohexyl)-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 50756759
(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
(11R)-11-methyl-N-[(1R,2S)-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 92737885
(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
(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)-10-[(2-ethoxyphenyl)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 129420285
10-(furan-2-ylmethyl)-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 71172278

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c(OC)c1.
What is the InChIKey of (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?
The InChIKey is PPFPNEPVAVRBFK-PNLFWNEXSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-18-7-5-6-8-21(18)29-27(33)28(2)17-30-22-12-14-36-25(22)16-23(30)26(32)31(28)13-11-19-9-10-20(34-3)15-24(19)35-4/h9-10,12,14-16,18,21H,5-8,11,13,17H2,1-4H3,(H,29,33)/t18-,21-,28-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 493.60 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129420373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).