N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide)

C72H102F8N4O8 — CID 158218910

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

N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide) (PubChem CID 158218910) has the molecular formula C72H102F8N4O8 and a molecular weight of 1303.61 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide).

Molecular Properties

• Compound Name: N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide)
• PubChem CID: 158218910
• Molecular Formula: C72H102F8N4O8
• Molecular Weight: 1303.61 g/mol
• Exact Mass: 1302.76
• IUPAC Name: N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide)
• SMILES: CC(C)(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1.CC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC1CC1CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C
• InChI: InChI=1S/3C18H25F2NO2.C18H27F2NO2/c2*1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12;1-18(2,3)21-17(22)16(9-12-5-4-6-12)23-11-13-7-14(19)10-15(20)8-13;1-17(2,3)10-15(16(22)21-18(4,5)6)23-11-12-7-13(19)9-14(20)8-12/h2*6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22);7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,21,22);7-9,15H,10-11H2,1-6H3,(H,21,22)
• InChIKey: GCZUDHALPMCSNO-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 153.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1303.61
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide)?

The IUPAC name of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide) (CID 158218910) is N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide).

What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide)?

The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide) is CC(C)(C)CC(OCc1cc(F)cc(F)c1)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C(CC1CCC1)OCc1cc(F)cc(F)c1.CC1CC1CC(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-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide)?

The InChIKey is GCZUDHALPMCSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H25F2NO2.C18H27F2NO2/c2*1-11-5-13(11)8-16(17(22)21-18(2,3)4)23-10-12-6-14(19)9-15(20)7-12;1-18(2,3)21-17(22)16(9-12-5-4-6-12)23-11-13-7-14(19)10-15(20)8-13;1-17(2,3)10-15(16(22)21-18(4,5)6)23-11-12-7-13(19)9-14(20)8-12/h2*6-7,9,11,13,16H,5,8,10H2,1-4H3,(H,21,22);7-8,10,12,16H,4-6,9,11H2,1-3H3,(H,21,22);7-9,15H,10-11H2,1-6H3,(H,21,22).

What are the key properties of N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide)?

N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide) has a molecular weight of 1303.61 g/mol, XLogP of 15.78, 23 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;bis(N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide) is sourced from PubChem (CID 158218910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).