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

C51H75F6N3O6 — CID 159661981

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
SMILESCC(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
InChIInChI=1S/C18H27F2NO2.C17H25F2NO2.C16H23F2NO2/c1-17(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/h7-9,15H,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)
InChIKeyMSXSEKQYWPTAFN-UHFFFAOYSA-N
MW940.16 g/mol
LogP11.43
Rot. Bonds14

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]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide (PubChem CID 159661981) has the molecular formula C51H75F6N3O6 and a molecular weight of 940.16 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.

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
PubChem CID159661981
Molecular FormulaC51H75F6N3O6
Molecular Weight940.16 g/mol
Exact Mass939.56
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
SMILESCC(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
InChIInChI=1S/C18H27F2NO2.C17H25F2NO2.C16H23F2NO2/c1-17(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/h7-9,15H,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)
InChIKeyMSXSEKQYWPTAFN-UHFFFAOYSA-N
XLogP11.43
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.16
LogP ≤ 511.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 with MolForge

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Related Compounds

N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide
CID 20790188
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3,3-dimethylbutanamide
CID 20790189
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
CID 20790190
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide
CID 20790191
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide
CID 20790192
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide
CID 20790193
N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide
CID 20790252
N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide
CID 20790257
2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 21366270
2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide
CID 70911212
Benzyl 1-[[3,3-dimethyl-2,4-bis(phenylmethoxy)butanoyl]amino]cyclohexane-1-carboxylate
CID 139801021
2-[(3,5-difluorophenyl)methoxy]-3,3-dimethyl-N-propan-2-ylbutanamide;2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide;2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide;2-[(3,5-difluorophenyl)methoxy]-3-methyl-N-propan-2-ylbutanamide
CID 157782517

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?
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 (CID 159661981) 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.
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?
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 is 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.
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?
The InChIKey is MSXSEKQYWPTAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2NO2.C17H25F2NO2.C16H23F2NO2/c1-17(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/h7-9,15H,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).
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]-3,3-dimethylbutanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4,4-dimethylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide has a molecular weight of 940.16 g/mol, XLogP of 11.43, 14 rotatable bonds, 3 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 159661981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).