N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide

C24H33N2O+ — CID 155615643

IUPACN-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide
SMILESCC[N+]1(C(C)C(=O)Nc2c(C)cccc2C)CCCC(c2ccccc2)C1
InChIInChI=1S/C24H32N2O/c1-5-26(16-10-15-22(17-26)21-13-7-6-8-14-21)20(4)24(27)25-23-18(2)11-9-12-19(23)3/h6-9,11-14,20,22H,5,10,15-17H2,1-4H3/p+1
InChIKeyJVMDDWGMQJUNLG-UHFFFAOYSA-O
MW365.54 g/mol
LogP5.04
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide

N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide (PubChem CID 155615643) has the molecular formula C24H33N2O+ and a molecular weight of 365.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide
PubChem CID155615643
Molecular FormulaC24H33N2O+
Molecular Weight365.54 g/mol
Exact Mass365.26
IUPAC NameN-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide
SMILESCC[N+]1(C(C)C(=O)Nc2c(C)cccc2C)CCCC(c2ccccc2)C1
InChIInChI=1S/C24H32N2O/c1-5-26(16-10-15-22(17-26)21-13-7-6-8-14-21)20(4)24(27)25-23-18(2)11-9-12-19(23)3/h6-9,11-14,20,22H,5,10,15-17H2,1-4H3/p+1
InChIKeyJVMDDWGMQJUNLG-UHFFFAOYSA-O
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.54
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)acetamide
CID 155101169
methyl 2-[2-(1-ethylpiperidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate
CID 158612778
2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetamide
CID 155615700
N-[1-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)buta-2,3-dien-2-yl]-2,6-dimethylaniline;molecular hydrogen
CID 176531230
N-(4-chloro-2,6-dimethylphenyl)-2-(1-ethylazepan-1-ium-1-yl)propanamide
CID 159712870
2-(1-benzyl-3-phenylazepan-1-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 155615730
2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide
CID 160537356
2-[1-[2-(dimethylamino)-2-oxoethyl]-4-phenylazepan-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 155615652
N-(4-cyano-2,6-dimethylphenyl)-2-(1-ethylpyrrolidin-1-ium-1-yl)propanamide;yttrium
CID 162256206
2-(1-ethylazepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide;yttrium
CID 161000535
methyl 2-[[2-[1-(2-amino-2-hydroxyethyl)-3-phenylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylbenzoate
CID 155115219
2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylpyrrolidin-1-ium-1-yl]-N-methylacetamide
CID 155615690

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide (CID 155615643) is N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide is CC[N+]1(C(C)C(=O)Nc2c(C)cccc2C)CCCC(c2ccccc2)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide?
The InChIKey is JVMDDWGMQJUNLG-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N2O/c1-5-26(16-10-15-22(17-26)21-13-7-6-8-14-21)20(4)24(27)25-23-18(2)11-9-12-19(23)3/h6-9,11-14,20,22H,5,10,15-17H2,1-4H3/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide?
N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide has a molecular weight of 365.54 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide is sourced from PubChem (CID 155615643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).