bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole

C118H156F4N10O15S2 — CID 167557864

IUPACbis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole
SMILESCC(C)c1cccc(C(N)=O)c1OC(F)F.CC(C)c1cccc(C(N)=O)c1OC(F)F.CCCCCCNC(=O)c1cccc(C(C)C)c1OC.COc1c(-c2cc(C)no2)cccc1C(C)C.COc1c(-c2ccnn2C)cccc1C(C)C.COc1c(-c2ncc(C)s2)cccc1C(C)C.COc1c(-c2nnc(C)s2)cccc1C(C)C.COc1c(C(=O)NCCCO)cccc1C(C)C.COc1ccccc1C(C)C
InChIInChI=1S/C17H27NO2.C14H18N2O.C14H21NO3.C14H17NO2.C14H17NOS.C13H16N2OS.2C11H13F2NO2.C10H14O/c1-5-6-7-8-12-18-17(19)15-11-9-10-14(13(2)3)16(15)20-4;1-10(2)11-6-5-7-12(14(11)17-4)13-8-9-15-16(13)3;1-10(2)11-6-4-7-12(13(11)18-3)14(17)15-8-5-9-16;1-9(2)11-6-5-7-12(14(11)16-4)13-8-10(3)15-17-13;1-9(2)11-6-5-7-12(13(11)16-4)14-15-8-10(3)17-14;1-8(2)10-6-5-7-11(12(10)16-4)13-15-14-9(3)17-13;2*1-6(2)7-4-3-5-8(10(14)15)9(7)16-11(12)13;1-8(2)9-6-4-5-7-10(9)11-3/h9-11,13H,5-8,12H2,1-4H3,(H,18,19);5-10H,1-4H3;4,6-7,10,16H,5,8-9H2,1-3H3,(H,15,17);2*5-9H,1-4H3;5-8H,1-4H3;2*3-6,11H,1-2H3,(H2,14,15);4-8H,1-3H3
InChIKeyDGDXAYCJRHTCGM-UHFFFAOYSA-N
MW2094.73 g/mol
LogP28.80
Rot. Bonds36

About bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole

bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole (PubChem CID 167557864) has the molecular formula C118H156F4N10O15S2 and a molecular weight of 2094.73 g/mol. Its IUPAC name is bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Namebis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole
PubChem CID167557864
Molecular FormulaC118H156F4N10O15S2
Molecular Weight2094.73 g/mol
Exact Mass2093.11
IUPAC Namebis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole
SMILESCC(C)c1cccc(C(N)=O)c1OC(F)F.CC(C)c1cccc(C(N)=O)c1OC(F)F.CCCCCCNC(=O)c1cccc(C(C)C)c1OC.COc1c(-c2cc(C)no2)cccc1C(C)C.COc1c(-c2ccnn2C)cccc1C(C)C.COc1c(-c2ncc(C)s2)cccc1C(C)C.COc1c(-c2nnc(C)s2)cccc1C(C)C.COc1c(C(=O)NCCCO)cccc1C(C)C.COc1ccccc1C(C)C
InChIInChI=1S/C17H27NO2.C14H18N2O.C14H21NO3.C14H17NO2.C14H17NOS.C13H16N2OS.2C11H13F2NO2.C10H14O/c1-5-6-7-8-12-18-17(19)15-11-9-10-14(13(2)3)16(15)20-4;1-10(2)11-6-5-7-12(14(11)17-4)13-8-9-15-16(13)3;1-10(2)11-6-4-7-12(13(11)18-3)14(17)15-8-5-9-16;1-9(2)11-6-5-7-12(14(11)16-4)13-8-10(3)15-17-13;1-9(2)11-6-5-7-12(13(11)16-4)14-15-8-10(3)17-14;1-8(2)10-6-5-7-11(12(10)16-4)13-15-14-9(3)17-13;2*1-6(2)7-4-3-5-8(10(14)15)9(7)16-11(12)13;1-8(2)9-6-4-5-7-10(9)11-3/h9-11,13H,5-8,12H2,1-4H3,(H,18,19);5-10H,1-4H3;4,6-7,10,16H,5,8-9H2,1-3H3,(H,15,17);2*5-9H,1-4H3;5-8H,1-4H3;2*3-6,11H,1-2H3,(H2,14,15);4-8H,1-3H3
InChIKeyDGDXAYCJRHTCGM-UHFFFAOYSA-N
XLogP28.80
TPSA330.20 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002094.73
LogP ≤ 528.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole with MolForge

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Related Compounds

N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide
CID 166023698
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CID 90537616
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
2-methoxy-N-tridecylbenzamide
CID 139819873
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide
CID 4777497
2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 78777512
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
2-bromo-3-methoxy-N-pentylbenzamide
CID 172648074
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121

Frequently Asked Questions

What is the IUPAC name of bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole (CID 167557864) is bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole is CC(C)c1cccc(C(N)=O)c1OC(F)F.CC(C)c1cccc(C(N)=O)c1OC(F)F.CCCCCCNC(=O)c1cccc(C(C)C)c1OC.COc1c(-c2cc(C)no2)cccc1C(C)C.COc1c(-c2ccnn2C)cccc1C(C)C.COc1c(-c2ncc(C)s2)cccc1C(C)C.COc1c(-c2nnc(C)s2)cccc1C(C)C.COc1c(C(=O)NCCCO)cccc1C(C)C.COc1ccccc1C(C)C.
What is the InChIKey of bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole?
The InChIKey is DGDXAYCJRHTCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C14H18N2O.C14H21NO3.C14H17NO2.C14H17NOS.C13H16N2OS.2C11H13F2NO2.C10H14O/c1-5-6-7-8-12-18-17(19)15-11-9-10-14(13(2)3)16(15)20-4;1-10(2)11-6-5-7-12(14(11)17-4)13-8-9-15-16(13)3;1-10(2)11-6-4-7-12(13(11)18-3)14(17)15-8-5-9-16;1-9(2)11-6-5-7-12(14(11)16-4)13-8-10(3)15-17-13;1-9(2)11-6-5-7-12(13(11)16-4)14-15-8-10(3)17-14;1-8(2)10-6-5-7-11(12(10)16-4)13-15-14-9(3)17-13;2*1-6(2)7-4-3-5-8(10(14)15)9(7)16-11(12)13;1-8(2)9-6-4-5-7-10(9)11-3/h9-11,13H,5-8,12H2,1-4H3,(H,18,19);5-10H,1-4H3;4,6-7,10,16H,5,8-9H2,1-3H3,(H,15,17);2*5-9H,1-4H3;5-8H,1-4H3;2*3-6,11H,1-2H3,(H2,14,15);4-8H,1-3H3.
What are the key properties of bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole?
bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole has a molecular weight of 2094.73 g/mol, XLogP of 28.80, 36 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 167557864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).