N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid

C17H23F3N2O3 — CID 69257465

IUPACN-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(NC(=O)CC2CCNC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N2O.C2HF3O2/c1-11(2)13-3-5-14(6-4-13)17-15(18)9-12-7-8-16-10-12;3-2(4,5)1(6)7/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18);(H,6,7)
InChIKeyKYWTVTBJAJOGDQ-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.38
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid

N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 69257465) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID69257465
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC NameN-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(NC(=O)CC2CCNC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N2O.C2HF3O2/c1-11(2)13-3-5-14(6-4-13)17-15(18)9-12-7-8-16-10-12;3-2(4,5)1(6)7/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18);(H,6,7)
InChIKeyKYWTVTBJAJOGDQ-UHFFFAOYSA-N
XLogP3.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid (CID 69257465) is N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid is CC(C)c1ccc(NC(=O)CC2CCNC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is KYWTVTBJAJOGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C2HF3O2/c1-11(2)13-3-5-14(6-4-13)17-15(18)9-12-7-8-16-10-12;3-2(4,5)1(6)7/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18);(H,6,7).
What are the key properties of N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 360.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69257465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).