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-methyl-N-propan-2-ylbutanamide

C48H69F6N3O6 — CID 160594989

IUPAC2-[(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-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CC(C)(C)C)OCc1cc(F)cc(F)c1.CC(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)C
InChIInChI=1S/C17H25F2NO2.C16H23F2NO2.C15H21F2NO2/c1-11(2)20-16(21)15(9-17(3,4)5)22-10-12-6-13(18)8-14(19)7-12;1-10(2)19-15(20)14(16(3,4)5)21-9-11-6-12(17)8-13(18)7-11;1-9(2)14(15(19)18-10(3)4)20-8-11-5-12(16)7-13(17)6-11/h6-8,11,15H,9-10H2,1-5H3,(H,20,21);6-8,10,14H,9H2,1-5H3,(H,19,20);5-7,9-10,14H,8H2,1-4H3,(H,18,19)
InChIKeyRDMXHYGXVAQJQX-UHFFFAOYSA-N
MW898.08 g/mol
LogP10.26
Rot. Bonds17

About 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-methyl-N-propan-2-ylbutanamide

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-methyl-N-propan-2-ylbutanamide (PubChem CID 160594989) has the molecular formula C48H69F6N3O6 and a molecular weight of 898.08 g/mol. Its IUPAC name is 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-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[(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-methyl-N-propan-2-ylbutanamide
PubChem CID160594989
Molecular FormulaC48H69F6N3O6
Molecular Weight898.08 g/mol
Exact Mass897.51
IUPAC Name2-[(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-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CC(C)(C)C)OCc1cc(F)cc(F)c1.CC(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)C
InChIInChI=1S/C17H25F2NO2.C16H23F2NO2.C15H21F2NO2/c1-11(2)20-16(21)15(9-17(3,4)5)22-10-12-6-13(18)8-14(19)7-12;1-10(2)19-15(20)14(16(3,4)5)21-9-11-6-12(17)8-13(18)7-11;1-9(2)14(15(19)18-10(3)4)20-8-11-5-12(16)7-13(17)6-11/h6-8,11,15H,9-10H2,1-5H3,(H,20,21);6-8,10,14H,9H2,1-5H3,(H,19,20);5-7,9-10,14H,8H2,1-4H3,(H,18,19)
InChIKeyRDMXHYGXVAQJQX-UHFFFAOYSA-N
XLogP10.26
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.08
LogP ≤ 510.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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-methyl-N-propan-2-ylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 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-methyl-N-propan-2-ylbutanamide (CID 160594989) is 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-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 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-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 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-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(CC(C)(C)C)OCc1cc(F)cc(F)c1.CC(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)(C)C.CC(C)NC(=O)C(OCc1cc(F)cc(F)c1)C(C)C.
What is the InChIKey of 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-methyl-N-propan-2-ylbutanamide?
The InChIKey is RDMXHYGXVAQJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO2.C16H23F2NO2.C15H21F2NO2/c1-11(2)20-16(21)15(9-17(3,4)5)22-10-12-6-13(18)8-14(19)7-12;1-10(2)19-15(20)14(16(3,4)5)21-9-11-6-12(17)8-13(18)7-11;1-9(2)14(15(19)18-10(3)4)20-8-11-5-12(16)7-13(17)6-11/h6-8,11,15H,9-10H2,1-5H3,(H,20,21);6-8,10,14H,9H2,1-5H3,(H,19,20);5-7,9-10,14H,8H2,1-4H3,(H,18,19).
What are the key properties of 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-methyl-N-propan-2-ylbutanamide?
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-methyl-N-propan-2-ylbutanamide has a molecular weight of 898.08 g/mol, XLogP of 10.26, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 160594989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).