N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

C21H32N2O2 — CID 113178550

IUPACN-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCC1)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H32N2O2/c1-15(2)18-10-9-11-19(16(3)4)21(18)23(17(5)24)14-20(25)22-12-7-6-8-13-22/h9-11,15-16H,6-8,12-14H2,1-5H3
InChIKeyKCRMAYXJNDIQCB-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.30
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (PubChem CID 113178550) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
PubChem CID113178550
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCC1)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H32N2O2/c1-15(2)18-10-9-11-19(16(3)4)21(18)23(17(5)24)14-20(25)22-12-7-6-8-13-22/h9-11,15-16H,6-8,12-14H2,1-5H3
InChIKeyKCRMAYXJNDIQCB-UHFFFAOYSA-N
XLogP4.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170241
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169653
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-propan-2-ylphenyl)acetamide
CID 113169578
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113170254
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113133110
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452
N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113177878
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169650
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (CID 113178550) is N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is CC(=O)N(CC(=O)N1CCCCC1)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The InChIKey is KCRMAYXJNDIQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-15(2)18-10-9-11-19(16(3)4)21(18)23(17(5)24)14-20(25)22-12-7-6-8-13-22/h9-11,15-16H,6-8,12-14H2,1-5H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide has a molecular weight of 344.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 113178550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).