2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide

C26H35F2N3O — CID 156892842

IUPAC2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide
SMILESCc1ccnc(C)c1C(C(=O)NC1CCC(F)(F)CC1)N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H35F2N3O/c1-17-13-16-29-18(2)22(17)23(24(32)30-20-11-14-26(27,28)15-12-20)31(6)21-9-7-19(8-10-21)25(3,4)5/h7-10,13,16,20,23H,11-12,14-15H2,1-6H3,(H,30,32)
InChIKeyOTKMCJCKESXCBC-UHFFFAOYSA-N
MW443.58 g/mol
LogP5.87
Rot. Bonds5

About 2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide

2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide (PubChem CID 156892842) has the molecular formula C26H35F2N3O and a molecular weight of 443.58 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide
PubChem CID156892842
Molecular FormulaC26H35F2N3O
Molecular Weight443.58 g/mol
Exact Mass443.27
IUPAC Name2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide
SMILESCc1ccnc(C)c1C(C(=O)NC1CCC(F)(F)CC1)N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H35F2N3O/c1-17-13-16-29-18(2)22(17)23(24(32)30-20-11-14-26(27,28)15-12-20)31(6)21-9-7-19(8-10-21)25(3,4)5/h7-10,13,16,20,23H,11-12,14-15H2,1-6H3,(H,30,32)
InChIKeyOTKMCJCKESXCBC-UHFFFAOYSA-N
XLogP5.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.58
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-pyrazin-2-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde
CID 156893633
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-(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
CID 156892550
(2R,4R)-N-(4-tert-butylphenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-fluoro-3-pyridinyl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 166040440
(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-fluoro-3-pyridinyl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156894421
N-(4-tert-butylphenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156893200
(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-methyl-3-pyridinyl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 167550304
N-(4-tert-butylphenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-pyridin-3-ylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 166041090
tert-butyl (3R)-3-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-pyridin-3-ylethyl]carbamoyl]morpholine-4-carboxylate
CID 166040422
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide
CID 156893375
N-(4-tert-butylphenyl)-N-[1-(4-cyano-3-pyridinyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156892921

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide (CID 156892842) is 2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide is Cc1ccnc(C)c1C(C(=O)NC1CCC(F)(F)CC1)N(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide?
The InChIKey is OTKMCJCKESXCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F2N3O/c1-17-13-16-29-18(2)22(17)23(24(32)30-20-11-14-26(27,28)15-12-20)31(6)21-9-7-19(8-10-21)25(3,4)5/h7-10,13,16,20,23H,11-12,14-15H2,1-6H3,(H,30,32).
What are the key properties of 2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide?
2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide has a molecular weight of 443.58 g/mol, XLogP of 5.87, 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-(4,4-difluorocyclohexyl)-2-(2,4-dimethyl-3-pyridinyl)acetamide is sourced from PubChem (CID 156892842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).