N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide

C21H22N2O — CID 139579549

IUPACN-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide
SMILESCC(=O)NC(Cc1ccc2ccccc2n1)c1cc(C)cc(C)c1
InChIInChI=1S/C21H22N2O/c1-14-10-15(2)12-18(11-14)21(22-16(3)24)13-19-9-8-17-6-4-5-7-20(17)23-19/h4-12,21H,13H2,1-3H3,(H,22,24)
InChIKeyKJILQWPTQGLVMW-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.27
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide

N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide (PubChem CID 139579549) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide
PubChem CID139579549
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide
SMILESCC(=O)NC(Cc1ccc2ccccc2n1)c1cc(C)cc(C)c1
InChIInChI=1S/C21H22N2O/c1-14-10-15(2)12-18(11-14)21(22-16(3)24)13-19-9-8-17-6-4-5-7-20(17)23-19/h4-12,21H,13H2,1-3H3,(H,22,24)
InChIKeyKJILQWPTQGLVMW-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide
CID 130474047
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]quinoline
CID 66461439
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
CID 175293953
benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
CID 175293947
2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
CID 132563536
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
CID 66459842
4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one
CID 71153530
methyl (4S)-4-acetamido-4-(3-methylquinolin-2-yl)butanoate
CID 146167396
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide (CID 139579549) is N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide is CC(=O)NC(Cc1ccc2ccccc2n1)c1cc(C)cc(C)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide?
The InChIKey is KJILQWPTQGLVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14-10-15(2)12-18(11-14)21(22-16(3)24)13-19-9-8-17-6-4-5-7-20(17)23-19/h4-12,21H,13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide?
N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide is sourced from PubChem (CID 139579549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).