N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

C18H26N2O3 — CID 108512179

IUPACN-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C18H26N2O3/c1-3-14-8-6-7-13(2)16(14)19-17(22)18(23)20-11-5-4-9-15(20)10-12-21/h6-8,15,21H,3-5,9-12H2,1-2H3,(H,19,22)
InChIKeyMWKCEMKEVYRNKF-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.26
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 108512179) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID108512179
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C18H26N2O3/c1-3-14-8-6-7-13(2)16(14)19-17(22)18(23)20-11-5-4-9-15(20)10-12-21/h6-8,15,21H,3-5,9-12H2,1-2H3,(H,19,22)
InChIKeyMWKCEMKEVYRNKF-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108522156
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
N-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108520894
N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86800635
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032623
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108527661
N-(2,6-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690462
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501493
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (CID 108512179) is N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is CCc1cccc(C)c1NC(=O)C(=O)N1CCCCC1CCO.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is MWKCEMKEVYRNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-14-8-6-7-13(2)16(14)19-17(22)18(23)20-11-5-4-9-15(20)10-12-21/h6-8,15,21H,3-5,9-12H2,1-2H3,(H,19,22).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 318.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108512179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).