2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde

C30H41F3N4O2 — CID 156892717

IUPAC2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cncc(C(F)(F)F)c1.O=CC1CCCN1
InChIInChI=1S/C25H32F3N3O.C5H9NO/c1-24(2,3)18-10-12-21(13-11-18)31(4)22(23(32)30-20-8-6-5-7-9-20)17-14-19(16-29-15-17)25(26,27)28;7-4-5-2-1-3-6-5/h10-16,20,22H,5-9H2,1-4H3,(H,30,32);4-6H,1-3H2
InChIKeySSTNFYQISYUADS-UHFFFAOYSA-N
MW546.68 g/mol
LogP5.96
Rot. Bonds6

About 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde

2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde (PubChem CID 156892717) has the molecular formula C30H41F3N4O2 and a molecular weight of 546.68 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde
PubChem CID156892717
Molecular FormulaC30H41F3N4O2
Molecular Weight546.68 g/mol
Exact Mass546.32
IUPAC Name2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cncc(C(F)(F)F)c1.O=CC1CCCN1
InChIInChI=1S/C25H32F3N3O.C5H9NO/c1-24(2,3)18-10-12-21(13-11-18)31(4)22(23(32)30-20-8-6-5-7-9-20)17-14-19(16-29-15-17)25(26,27)28;7-4-5-2-1-3-6-5/h10-16,20,22H,5-9H2,1-4H3,(H,30,32);4-6H,1-3H2
InChIKeySSTNFYQISYUADS-UHFFFAOYSA-N
XLogP5.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide
CID 156892550
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156893623
2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-formyl-4-hydroxypyrrolidine-1-carbonitrile
CID 156892529
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide;2-formylpyrrolidine-1-carbonitrile
CID 156893144
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-1-(5-methyl-3-pyridinyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 167612729
2-(4-tert-butyl-N-methylanilino)-2-(4-cyano-3-pyridinyl)-N-cyclohexylacetamide;4-hydroxypyrrolidine-2-carbaldehyde
CID 156892886
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide;2-formyl-3-hydroxyazetidine-1-carbonitrile
CID 156894115
2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-pyrazin-2-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde
CID 156893633
(2R,4R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(5-methoxy-3-pyridinyl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156894553
2-(4-tert-butyl-3-fluoro-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(5-fluoro-3-pyridinyl)acetamide
CID 156893725
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide
CID 156893375
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(trifluoromethyl)azetidine-2-carboxamide
CID 156893029

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde (CID 156892717) is 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde is CN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cncc(C(F)(F)F)c1.O=CC1CCCN1.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde?
The InChIKey is SSTNFYQISYUADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O.C5H9NO/c1-24(2,3)18-10-12-21(13-11-18)31(4)22(23(32)30-20-8-6-5-7-9-20)17-14-19(16-29-15-17)25(26,27)28;7-4-5-2-1-3-6-5/h10-16,20,22H,5-9H2,1-4H3,(H,30,32);4-6H,1-3H2.
What are the key properties of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde?
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde has a molecular weight of 546.68 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 156892717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).