2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide

C24H32FN3O — CID 156892550

IUPAC2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cncc(F)c1
InChIInChI=1S/C24H32FN3O/c1-24(2,3)18-10-12-21(13-11-18)28(4)22(17-14-19(25)16-26-15-17)23(29)27-20-8-6-5-7-9-20/h10-16,20,22H,5-9H2,1-4H3,(H,27,29)
InChIKeyZULWONFSHCEHTA-UHFFFAOYSA-N
MW397.54 g/mol
LogP5.14
Rot. Bonds5

About 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide

2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide (PubChem CID 156892550) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide
PubChem CID156892550
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cncc(F)c1
InChIInChI=1S/C24H32FN3O/c1-24(2,3)18-10-12-21(13-11-18)28(4)22(17-14-19(25)16-26-15-17)23(29)27-20-8-6-5-7-9-20/h10-16,20,22H,5-9H2,1-4H3,(H,27,29)
InChIKeyZULWONFSHCEHTA-UHFFFAOYSA-N
XLogP5.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide;2-formylpyrrolidine-1-carbonitrile
CID 156893144
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-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde
CID 156892717
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)-N-cyclohexyl-2-pyridin-3-ylacetamide;2-formyl-3-hydroxyazetidine-1-carbonitrile
CID 156894115
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-prop-2-ynylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791167
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(trifluoromethyl)azetidine-2-carboxamide
CID 156893029
(2R,4R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(5-methoxy-3-pyridinyl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156894553
N-(4-tert-butylphenyl)-N-[1-(5-chloro-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1-cyano-4-hydroxypyrrolidine-2-carboxamide
CID 166040984
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide;N-(4-tert-butylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 157344591
2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-formyl-4-hydroxypyrrolidine-1-carbonitrile
CID 156892529

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide (CID 156892550) is 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide is CN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cncc(F)c1.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide?
The InChIKey is ZULWONFSHCEHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O/c1-24(2,3)18-10-12-21(13-11-18)28(4)22(17-14-19(25)16-26-15-17)23(29)27-20-8-6-5-7-9-20/h10-16,20,22H,5-9H2,1-4H3,(H,27,29).
What are the key properties of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide?
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide has a molecular weight of 397.54 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide is sourced from PubChem (CID 156892550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).