N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide

C20H26F3N3O2 — CID 22448137

IUPACN-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(CN1CCC(NC(=O)C(F)(F)F)C1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)19(28)25-17-10-11-26(12-17)13-18(27)24-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-13H2,(H,24,27)(H,25,28)
InChIKeyULYRNVAIVMWIDC-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.43
Rot. Bonds5

About N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide

N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 22448137) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID22448137
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC NameN-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(CN1CCC(NC(=O)C(F)(F)F)C1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)19(28)25-17-10-11-26(12-17)13-18(27)24-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-13H2,(H,24,27)(H,25,28)
InChIKeyULYRNVAIVMWIDC-UHFFFAOYSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 22448041
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 22448123
(2S,3R)-N,3-dihydroxy-2-[1-[4-[2-[4-[[2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]acetyl]amino]phenyl]ethynyl]phenyl]ethylideneamino]butanamide
CID 90814632
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118
(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide
CID 125156002
N-(4-hydroxyphenyl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 47021714
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (CID 22448137) is N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is O=C(CN1CCC(NC(=O)C(F)(F)F)C1)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ULYRNVAIVMWIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c21-20(22,23)19(28)25-17-10-11-26(12-17)13-18(27)24-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-13H2,(H,24,27)(H,25,28).
What are the key properties of N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 397.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22448137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).