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

C27H33N3O5 — CID 50756799

IUPAC10-(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
SMILESCOc1ccc(N2C(=O)c3cc4occc4n3CC2(C)C(=O)NC2CCCC(C)C2C)cc1OC
InChIInChI=1S/C27H33N3O5/c1-16-7-6-8-19(17(16)2)28-26(32)27(3)15-29-20-11-12-35-23(20)14-21(29)25(31)30(27)18-9-10-22(33-4)24(13-18)34-5/h9-14,16-17,19H,6-8,15H2,1-5H3,(H,28,32)
InChIKeyIOQSELQVIXKCOS-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.61
Rot. Bonds5

About 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

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 (PubChem CID 50756799) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID50756799
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Name10-(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
SMILESCOc1ccc(N2C(=O)c3cc4occc4n3CC2(C)C(=O)NC2CCCC(C)C2C)cc1OC
InChIInChI=1S/C27H33N3O5/c1-16-7-6-8-19(17(16)2)28-26(32)27(3)15-29-20-11-12-35-23(20)14-21(29)25(31)30(27)18-9-10-22(33-4)24(13-18)34-5/h9-14,16-17,19H,6-8,15H2,1-5H3,(H,28,32)
InChIKeyIOQSELQVIXKCOS-UHFFFAOYSA-N
XLogP4.61
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(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
(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
(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)-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)-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)-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)-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
(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(N2C(=O)c3cc4occc4n3CC2(C)C(=O)NC2CCCC(C)C2C)cc1OC.
What is the InChIKey of 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?
The InChIKey is IOQSELQVIXKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-16-7-6-8-19(17(16)2)28-26(32)27(3)15-29-20-11-12-35-23(20)14-21(29)25(31)30(27)18-9-10-22(33-4)24(13-18)34-5/h9-14,16-17,19H,6-8,15H2,1-5H3,(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 479.58 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 50756799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).