N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

C18H28N2O — CID 109014562

IUPACN-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C18H28N2O/c1-4-16-7-5-6-15(3)18(16)19-17(21)10-13-20-11-8-14(2)9-12-20/h5-7,14H,4,8-13H2,1-3H3,(H,19,21)
InChIKeyYSUPROUMDLRUGQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.62
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 109014562) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID109014562
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C18H28N2O/c1-4-16-7-5-6-15(3)18(16)19-17(21)10-13-20-11-8-14(2)9-12-20/h5-7,14H,4,8-13H2,1-3H3,(H,19,21)
InChIKeyYSUPROUMDLRUGQ-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
CID 119928048
N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972413
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842222
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 109014562) is N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is CCc1cccc(C)c1NC(=O)CCN1CCC(C)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is YSUPROUMDLRUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-16-7-5-6-15(3)18(16)19-17(21)10-13-20-11-8-14(2)9-12-20/h5-7,14H,4,8-13H2,1-3H3,(H,19,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109014562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).