N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide

C20H30N2O2 — CID 113124884

IUPACN-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(C(C)=O)c1c(C)cccc1C
InChIInChI=1S/C20H30N2O2/c1-5-18-11-6-7-13-22(18)19(24)12-14-21(17(4)23)20-15(2)9-8-10-16(20)3/h8-10,18H,5-7,11-14H2,1-4H3
InChIKeyONDFMDWMFRBHSZ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.84
Rot. Bonds5

About N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide

N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113124884) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113124884
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(C(C)=O)c1c(C)cccc1C
InChIInChI=1S/C20H30N2O2/c1-5-18-11-6-7-13-22(18)19(24)12-14-21(17(4)23)20-15(2)9-8-10-16(20)3/h8-10,18H,5-7,11-14H2,1-4H3
InChIKeyONDFMDWMFRBHSZ-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)acetamide
CID 113123611
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132644
N-(2,3-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134315
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113128682
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128945
N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113124813
N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131127
N-(2,3-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142610
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167733
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032623

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113124884) is N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide is CCC1CCCCN1C(=O)CCN(C(C)=O)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is ONDFMDWMFRBHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-18-11-6-7-13-22(18)19(24)12-14-21(17(4)23)20-15(2)9-8-10-16(20)3/h8-10,18H,5-7,11-14H2,1-4H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 330.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113124884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).