(11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C25H36N4O4 — CID 92903473

IUPAC(11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCCN2CCOCC2)C3=O)o1
InChIInChI=1S/C25H36N4O4/c1-18-15-20-22(33-18)16-21-23(30)29(10-6-9-27-11-13-32-14-12-27)25(2,17-28(20)21)24(31)26-19-7-4-3-5-8-19/h15-16,19H,3-14,17H2,1-2H3,(H,26,31)/t25-/m1/s1
InChIKeyNKUYLQKVHAIRKN-RUZDIDTESA-N
MW456.59 g/mol
LogP2.93
Rot. Bonds6

About (11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92903473) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is (11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-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-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID92903473
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC Name(11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCCN2CCOCC2)C3=O)o1
InChIInChI=1S/C25H36N4O4/c1-18-15-20-22(33-18)16-21-23(30)29(10-6-9-27-11-13-32-14-12-27)25(2,17-28(20)21)24(31)26-19-7-4-3-5-8-19/h15-16,19H,3-14,17H2,1-2H3,(H,26,31)/t25-/m1/s1
InChIKeyNKUYLQKVHAIRKN-RUZDIDTESA-N
XLogP2.93
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-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

N-cyclohexyl-4,11-dimethyl-9-oxo-10-[3-(4-propylpiperazin-1-yl)propyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521768
N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46272326
(11S)-N-cyclohexyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903462
N-cyclohexyl-10-[2-(dimethylamino)ethyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756422
N-cyclooctyl-4,11-dimethyl-9-oxo-10-(3-propan-2-yloxypropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521891
(11S)-N-cycloheptyl-10-[3-(dipropylamino)propyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721561
N-cyclohexyl-10-(3-ethoxypropyl)-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane
CID 143130888
(11S)-N-cycloheptyl-4,11-dimethyl-9-oxo-10-(3-phenylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721511
N-cyclohexyl-11-methyl-9-oxo-10-(3-piperidin-1-ylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756455
(11R)-N,10-dicyclohexyl-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737713
(11R)-N-cycloheptyl-10-cyclohexyl-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721556
(11S)-N-cyclohexyl-10-[(4-fluorophenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903464

Frequently Asked Questions

What is the IUPAC name of (11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-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-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92903473) is (11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-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-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-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-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCCN2CCOCC2)C3=O)o1.
What is the InChIKey of (11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is NKUYLQKVHAIRKN-RUZDIDTESA-N. The full InChI is InChI=1S/C25H36N4O4/c1-18-15-20-22(33-18)16-21-23(30)29(10-6-9-27-11-13-32-14-12-27)25(2,17-28(20)21)24(31)26-19-7-4-3-5-8-19/h15-16,19H,3-14,17H2,1-2H3,(H,26,31)/t25-/m1/s1.
What are the key properties of (11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-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 456.59 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-N-cyclohexyl-4,11-dimethyl-10-(3-morpholin-4-ylpropyl)-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 92903473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).