2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide

C24H37N3O2 — CID 156893375

IUPAC2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)C1CCNC(=O)C1
InChIInChI=1S/C24H37N3O2/c1-24(2,3)18-10-12-20(13-11-18)27(4)22(17-14-15-25-21(28)16-17)23(29)26-19-8-6-5-7-9-19/h10-13,17,19,22H,5-9,14-16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeySQYIGXPVQCRYMA-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide

2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide (PubChem CID 156893375) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide
PubChem CID156893375
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide
SMILESCN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)C1CCNC(=O)C1
InChIInChI=1S/C24H37N3O2/c1-24(2,3)18-10-12-20(13-11-18)27(4)22(17-14-15-25-21(28)16-17)23(29)26-19-8-6-5-7-9-19/h10-13,17,19,22H,5-9,14-16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeySQYIGXPVQCRYMA-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(5-fluoro-3-pyridinyl)acetamide
CID 156892550
(2R)-N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-oxopyrrolidine-2-carboxamide
CID 166040529
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde
CID 156892717
(4R)-4-(4-tert-butylphenyl)piperidin-2-one
CID 129394297
4-(4-tert-butylphenyl)piperidin-2-one
CID 58901934
4-tert-butyl-N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2094670
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-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
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-2-methylpyrrolidine-2-carboxamide
CID 156893109
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide
CID 167913357
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]thiomorpholine-3-carboxamide
CID 166040967

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide (CID 156893375) is 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide is CN(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)C1CCNC(=O)C1.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide?
The InChIKey is SQYIGXPVQCRYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-24(2,3)18-10-12-20(13-11-18)27(4)22(17-14-15-25-21(28)16-17)23(29)26-19-8-6-5-7-9-19/h10-13,17,19,22H,5-9,14-16H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide?
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-(2-oxopiperidin-4-yl)acetamide has a molecular weight of 399.58 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 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-(2-oxopiperidin-4-yl)acetamide is sourced from PubChem (CID 156893375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).