5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

C132H138N16O12S2 — CID 161426799

IUPAC5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(OCc2ccccc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccccn2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2cccnc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccncc2)cc2cccnc12.CC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.CC(C)(C)C(=O)Nc1nc(-c2ccccc2)cs1.CC(C)(C)N1C(=O)c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H22N2O2.3C20H21N3O2.C20H20N2OS.C17H17NO2.C14H16N2OS/c1-21(2,3)20(24)23-18-13-17(12-16-10-7-11-22-19(16)18)25-14-15-8-5-4-6-9-15;1-20(2,3)19(24)23-17-11-16(10-15-7-5-9-22-18(15)17)25-13-14-6-4-8-21-12-14;1-20(2,3)19(24)23-17-12-16(11-15-5-4-8-22-18(15)17)25-13-14-6-9-21-10-7-14;1-20(2,3)19(24)23-17-12-16(11-14-7-6-10-22-18(14)17)25-13-15-8-4-5-9-21-15;1-20(2,3)18(23)22-19-21-16(14-10-6-4-7-11-14)17(24-19)15-12-8-5-9-13-15;1-17(2,3)18-13-9-5-7-11-15(13)20-14-10-6-4-8-12(14)16(18)19;1-14(2,3)12(17)16-13-15-11(9-18-13)10-7-5-4-6-8-10/h4-13H,14H2,1-3H3,(H,23,24);3*4-12H,13H2,1-3H3,(H,23,24);4-13H,1-3H3,(H,21,22,23);4-11H,1-3H3;4-9H,1-3H3,(H,15,16,17)
InChIKeyVXLRKXRVXVOYRC-UHFFFAOYSA-N
MW2204.79 g/mol
LogP30.87
Rot. Bonds21

About 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 161426799) has the molecular formula C132H138N16O12S2 and a molecular weight of 2204.79 g/mol. Its IUPAC name is 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
PubChem CID161426799
Molecular FormulaC132H138N16O12S2
Molecular Weight2204.79 g/mol
Exact Mass2203.01
IUPAC Name5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(OCc2ccccc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccccn2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2cccnc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccncc2)cc2cccnc12.CC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.CC(C)(C)C(=O)Nc1nc(-c2ccccc2)cs1.CC(C)(C)N1C(=O)c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H22N2O2.3C20H21N3O2.C20H20N2OS.C17H17NO2.C14H16N2OS/c1-21(2,3)20(24)23-18-13-17(12-16-10-7-11-22-19(16)18)25-14-15-8-5-4-6-9-15;1-20(2,3)19(24)23-17-11-16(10-15-7-5-9-22-18(15)17)25-13-14-6-4-8-21-12-14;1-20(2,3)19(24)23-17-12-16(11-15-5-4-8-22-18(15)17)25-13-14-6-9-21-10-7-14;1-20(2,3)19(24)23-17-12-16(11-14-7-6-10-22-18(14)17)25-13-15-8-4-5-9-21-15;1-20(2,3)18(23)22-19-21-16(14-10-6-4-7-11-14)17(24-19)15-12-8-5-9-13-15;1-17(2,3)18-13-9-5-7-11-15(13)20-14-10-6-4-8-12(14)16(18)19;1-14(2,3)12(17)16-13-15-11(9-18-13)10-7-5-4-6-8-10/h4-13H,14H2,1-3H3,(H,23,24);3*4-12H,13H2,1-3H3,(H,23,24);4-13H,1-3H3,(H,21,22,23);4-11H,1-3H3;4-9H,1-3H3,(H,15,16,17)
InChIKeyVXLRKXRVXVOYRC-UHFFFAOYSA-N
XLogP30.87
TPSA357.07 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002204.79
LogP ≤ 530.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide 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

5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2,2-dimethyl-N-(2-methylquinolin-4-yl)propanamide;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(3-phenylphenyl)propanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-quinolin-3-ylpropanamide;2,2-dimethyl-N-quinolin-6-ylpropanamide;2,2-dimethyl-N-quinolin-8-ylpropanamide;2,2-dimethyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanamide;N-(6-methoxyquinolin-8-yl)-2,2-dimethylpropanamide;N-propan-2-ylquinoline-8-carboxamide
CID 158515381
11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide
CID 159933138

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (CID 161426799) is 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(OCc2ccccc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccccn2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2cccnc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccncc2)cc2cccnc12.CC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.CC(C)(C)C(=O)Nc1nc(-c2ccccc2)cs1.CC(C)(C)N1C(=O)c2ccccc2Oc2ccccc21.
What is the InChIKey of 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is VXLRKXRVXVOYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.3C20H21N3O2.C20H20N2OS.C17H17NO2.C14H16N2OS/c1-21(2,3)20(24)23-18-13-17(12-16-10-7-11-22-19(16)18)25-14-15-8-5-4-6-9-15;1-20(2,3)19(24)23-17-11-16(10-15-7-5-9-22-18(15)17)25-13-14-6-4-8-21-12-14;1-20(2,3)19(24)23-17-12-16(11-15-5-4-8-22-18(15)17)25-13-14-6-9-21-10-7-14;1-20(2,3)19(24)23-17-12-16(11-14-7-6-10-22-18(14)17)25-13-15-8-4-5-9-21-15;1-20(2,3)18(23)22-19-21-16(14-10-6-4-7-11-14)17(24-19)15-12-8-5-9-13-15;1-17(2,3)18-13-9-5-7-11-15(13)20-14-10-6-4-8-12(14)16(18)19;1-14(2,3)12(17)16-13-15-11(9-18-13)10-7-5-4-6-8-10/h4-13H,14H2,1-3H3,(H,23,24);3*4-12H,13H2,1-3H3,(H,23,24);4-13H,1-3H3,(H,21,22,23);4-11H,1-3H3;4-9H,1-3H3,(H,15,16,17).
What are the key properties of 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 2204.79 g/mol, XLogP of 30.87, 21 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylbenzo[b][1,4]benzoxazepin-6-one;2,2-dimethyl-N-(6-phenylmethoxyquinolin-8-yl)propanamide;2,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 161426799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).