10-(1,3-benzodioxol-5-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

C26H29N3O5 — CID 22521786

IUPAC10-(1,3-benzodioxol-5-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
SMILESCC1CCCCC1NC(=O)C1(C)Cn2c(cc3occc32)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H29N3O5/c1-16-5-3-4-6-18(16)27-25(31)26(2)14-28-19-9-10-32-22(19)12-20(28)24(30)29(26)13-17-7-8-21-23(11-17)34-15-33-21/h7-12,16,18H,3-6,13-15H2,1-2H3,(H,27,31)
InChIKeyNWKYQMSGKAVHDE-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.07
Rot. Bonds4

About 10-(1,3-benzodioxol-5-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

10-(1,3-benzodioxol-5-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 (PubChem CID 22521786) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 10-(1,3-benzodioxol-5-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.

Molecular Properties

Compound Name10-(1,3-benzodioxol-5-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
PubChem CID22521786
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name10-(1,3-benzodioxol-5-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
SMILESCC1CCCCC1NC(=O)C1(C)Cn2c(cc3occc32)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H29N3O5/c1-16-5-3-4-6-18(16)27-25(31)26(2)14-28-19-9-10-32-22(19)12-20(28)24(30)29(26)13-17-7-8-21-23(11-17)34-15-33-21/h7-12,16,18H,3-6,13-15H2,1-2H3,(H,27,31)
InChIKeyNWKYQMSGKAVHDE-UHFFFAOYSA-N
XLogP4.07
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-(1,3-benzodioxol-5-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 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

(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
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)-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
10-[(2-chlorophenyl)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 50756744
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
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-[(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
(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-[(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

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzodioxol-5-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?
The IUPAC name of 10-(1,3-benzodioxol-5-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 22521786) is 10-(1,3-benzodioxol-5-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.
What is the SMILES notation for 10-(1,3-benzodioxol-5-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?
The canonical SMILES for 10-(1,3-benzodioxol-5-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 is CC1CCCCC1NC(=O)C1(C)Cn2c(cc3occc32)C(=O)N1Cc1ccc2c(c1)OCO2.
What is the InChIKey of 10-(1,3-benzodioxol-5-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?
The InChIKey is NWKYQMSGKAVHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-16-5-3-4-6-18(16)27-25(31)26(2)14-28-19-9-10-32-22(19)12-20(28)24(30)29(26)13-17-7-8-21-23(11-17)34-15-33-21/h7-12,16,18H,3-6,13-15H2,1-2H3,(H,27,31).
What are the key properties of 10-(1,3-benzodioxol-5-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?
10-(1,3-benzodioxol-5-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 has a molecular weight of 463.53 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzodioxol-5-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 is sourced from PubChem (CID 22521786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).