N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide

C17H24N2O2 — CID 62654437

IUPACN-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCCCC1C=O
InChIInChI=1S/C17H24N2O2/c1-3-14-8-6-7-13(2)17(14)18-16(21)11-19-10-5-4-9-15(19)12-20/h6-8,12,15H,3-5,9-11H2,1-2H3,(H,18,21)
InChIKeyVKMAIKANRBWGHD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.55
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide (PubChem CID 62654437) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
PubChem CID62654437
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCCCC1C=O
InChIInChI=1S/C17H24N2O2/c1-3-14-8-6-7-13(2)17(14)18-16(21)11-19-10-5-4-9-15(19)12-20/h6-8,12,15H,3-5,9-11H2,1-2H3,(H,18,21)
InChIKeyVKMAIKANRBWGHD-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
2-[(2S)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-2-yl]acetamide
CID 94795427
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 51172206
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 11930988
N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55627894
N-(2,6-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690462
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
CID 119928048
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 62654256
1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908992
cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
CID 8875644

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide (CID 62654437) is N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide is CCc1cccc(C)c1NC(=O)CN1CCCCC1C=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide?
The InChIKey is VKMAIKANRBWGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-14-8-6-7-13(2)17(14)18-16(21)11-19-10-5-4-9-15(19)12-20/h6-8,12,15H,3-5,9-11H2,1-2H3,(H,18,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62654437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).