N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide

C15H22F3N3O2 — CID 71097024

IUPACN-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1nccc(OC(F)(F)F)n1
InChIInChI=1S/C15H22F3N3O2/c1-5-6-9-21(12(22)10-14(2,3)4)13-19-8-7-11(20-13)23-15(16,17)18/h7-8H,5-6,9-10H2,1-4H3
InChIKeyZXUYYIGIGTYBFF-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.94
Rot. Bonds6

About N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide

N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide (PubChem CID 71097024) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide
PubChem CID71097024
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC NameN-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide
SMILESCCCCN(C(=O)CC(C)(C)C)c1nccc(OC(F)(F)F)n1
InChIInChI=1S/C15H22F3N3O2/c1-5-6-9-21(12(22)10-14(2,3)4)13-19-8-7-11(20-13)23-15(16,17)18/h7-8H,5-6,9-10H2,1-4H3
InChIKeyZXUYYIGIGTYBFF-UHFFFAOYSA-N
XLogP3.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide (CID 71097024) is N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide is CCCCN(C(=O)CC(C)(C)C)c1nccc(OC(F)(F)F)n1.
What is the InChIKey of N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide?
The InChIKey is ZXUYYIGIGTYBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-5-6-9-21(12(22)10-14(2,3)4)13-19-8-7-11(20-13)23-15(16,17)18/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide?
N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide has a molecular weight of 333.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide is sourced from PubChem (CID 71097024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).