4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide

C14H19F3N2O2 — CID 60850049

IUPAC4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCC(C)NCCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(2)18-8-4-7-13(20)19-11-5-3-6-12(9-11)21-14(15,16)17/h3,5-6,9-10,18H,4,7-8H2,1-2H3,(H,19,20)
InChIKeyYOJYXCPRYYTKRY-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.30
Rot. Bonds7

About 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide

4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide (PubChem CID 60850049) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
PubChem CID60850049
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCC(C)NCCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(2)18-8-4-7-13(20)19-11-5-3-6-12(9-11)21-14(15,16)17/h3,5-6,9-10,18H,4,7-8H2,1-2H3,(H,19,20)
InChIKeyYOJYXCPRYYTKRY-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide (CID 60850049) is 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide is CC(C)NCCCC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is YOJYXCPRYYTKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(2)18-8-4-7-13(20)19-11-5-3-6-12(9-11)21-14(15,16)17/h3,5-6,9-10,18H,4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide?
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 304.31 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 60850049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).