2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide

C24H40N2O — CID 25130211

IUPAC2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide
SMILESCC(C)(C)CCN1CCC(CNC(=O)Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H40N2O/c1-23(2,3)13-16-26-14-11-20(12-15-26)18-25-22(27)17-19-7-9-21(10-8-19)24(4,5)6/h7-10,20H,11-18H2,1-6H3,(H,25,27)
InChIKeyOMPIDZKVPWOYTK-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.79
Rot. Bonds6

About 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide

2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide (PubChem CID 25130211) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide
PubChem CID25130211
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide
SMILESCC(C)(C)CCN1CCC(CNC(=O)Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H40N2O/c1-23(2,3)13-16-26-14-11-20(12-15-26)18-25-22(27)17-19-7-9-21(10-8-19)24(4,5)6/h7-10,20H,11-18H2,1-6H3,(H,25,27)
InChIKeyOMPIDZKVPWOYTK-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide (CID 25130211) is 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide is CC(C)(C)CCN1CCC(CNC(=O)Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is OMPIDZKVPWOYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c1-23(2,3)13-16-26-14-11-20(12-15-26)18-25-22(27)17-19-7-9-21(10-8-19)24(4,5)6/h7-10,20H,11-18H2,1-6H3,(H,25,27).
What are the key properties of 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide?
2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 372.60 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 25130211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).