N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide

C26H36N2O — CID 42697562

IUPACN-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC(C)(C)c1ccc(CN(CCN2CCCCC2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H36N2O/c1-26(2,3)24-14-12-23(13-15-24)21-28(19-18-27-16-8-5-9-17-27)25(29)20-22-10-6-4-7-11-22/h4,6-7,10-15H,5,8-9,16-21H2,1-3H3
InChIKeyMOWMYZCAPWZILE-UHFFFAOYSA-N
MW392.59 g/mol
LogP5.04
Rot. Bonds7

About N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide

N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 42697562) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID42697562
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC(C)(C)c1ccc(CN(CCN2CCCCC2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H36N2O/c1-26(2,3)24-14-12-23(13-15-24)21-28(19-18-27-16-8-5-9-17-27)25(29)20-22-10-6-4-7-11-22/h4,6-7,10-15H,5,8-9,16-21H2,1-3H3
InChIKeyMOWMYZCAPWZILE-UHFFFAOYSA-N
XLogP5.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-[(4-tert-butylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 42702545
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710155
N,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 23882390
1-[(4-tert-butylphenyl)methyl]-3-(2-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)urea
CID 42702546
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710160
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710174
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
4-tert-butyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 4081615
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
1-benzyl-3-(2-chloro-6-methylphenyl)-1-(2-piperidin-1-ylethyl)urea
CID 3060889
benzyl-[3-[1,4,12-tris[3-[benzyl(carboxy)amino]propyl]-1,4,8,12-tetrazacyclopentadec-8-yl]propyl]carbamic acid
CID 57372008

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide (CID 42697562) is N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide is CC(C)(C)c1ccc(CN(CCN2CCCCC2)C(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is MOWMYZCAPWZILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-26(2,3)24-14-12-23(13-15-24)21-28(19-18-27-16-8-5-9-17-27)25(29)20-22-10-6-4-7-11-22/h4,6-7,10-15H,5,8-9,16-21H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide?
N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 392.59 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 42697562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).