N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane

C70H104F8N4O8 — CID 158749509

IUPACN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane
SMILESC.CC(C)(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)C(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H25F2NO2.C18H27F2NO2.C17H25F2NO2.C16H23F2NO2.CH4/c1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12;1-17(2,3)10-15(16(22)21-18(4,5)6)23-11-12-7-13(19)9-14(20)8-12;1-16(2,3)14(15(21)20-17(4,5)6)22-10-11-7-12(18)9-13(19)8-11;1-10(2)14(15(20)19-16(3,4)5)21-9-11-6-12(17)8-13(18)7-11;/h6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22);7-9,15H,10-11H2,1-6H3,(H,21,22);7-9,14H,10H2,1-6H3,(H,20,21);6-8,10,14H,9H2,1-5H3,(H,19,20);1H4
InChIKeyINHJKJCIHOEPIM-UHFFFAOYSA-N
MW1281.61 g/mol
LogP15.88
Rot. Bonds20

About N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane

N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane (PubChem CID 158749509) has the molecular formula C70H104F8N4O8 and a molecular weight of 1281.61 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane
PubChem CID158749509
Molecular FormulaC70H104F8N4O8
Molecular Weight1281.61 g/mol
Exact Mass1280.77
IUPAC NameN-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane
SMILESC.CC(C)(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)C(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H25F2NO2.C18H27F2NO2.C17H25F2NO2.C16H23F2NO2.CH4/c1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12;1-17(2,3)10-15(16(22)21-18(4,5)6)23-11-12-7-13(19)9-14(20)8-12;1-16(2,3)14(15(21)20-17(4,5)6)22-10-11-7-12(18)9-13(19)8-11;1-10(2)14(15(20)19-16(3,4)5)21-9-11-6-12(17)8-13(18)7-11;/h6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22);7-9,15H,10-11H2,1-6H3,(H,21,22);7-9,14H,10H2,1-6H3,(H,20,21);6-8,10,14H,9H2,1-5H3,(H,19,20);1H4
InChIKeyINHJKJCIHOEPIM-UHFFFAOYSA-N
XLogP15.88
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001281.61
LogP ≤ 515.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane?
The IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane (CID 158749509) is N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane.
What is the SMILES notation for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane?
The canonical SMILES for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane is C.CC(C)(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)C(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane?
The InChIKey is INHJKJCIHOEPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO2.C18H27F2NO2.C17H25F2NO2.C16H23F2NO2.CH4/c1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12;1-17(2,3)10-15(16(22)21-18(4,5)6)23-11-12-7-13(19)9-14(20)8-12;1-16(2,3)14(15(21)20-17(4,5)6)22-10-11-7-12(18)9-13(19)8-11;1-10(2)14(15(20)19-16(3,4)5)21-9-11-6-12(17)8-13(18)7-11;/h6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22);7-9,15H,10-11H2,1-6H3,(H,21,22);7-9,14H,10H2,1-6H3,(H,20,21);6-8,10,14H,9H2,1-5H3,(H,19,20);1H4.
What are the key properties of N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane?
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane has a molecular weight of 1281.61 g/mol, XLogP of 15.88, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;methane is sourced from PubChem (CID 158749509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).