2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide

C17H20N2O — CID 51410979

IUPAC2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESCc1ccc(CC(=O)N[C@H](C)c2ccncc2)cc1C
InChIInChI=1S/C17H20N2O/c1-12-4-5-15(10-13(12)2)11-17(20)19-14(3)16-6-8-18-9-7-16/h4-10,14H,11H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyJJCSUSJKVDXWAB-CQSZACIVSA-N
MW268.36 g/mol
LogP3.12
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide

2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide (PubChem CID 51410979) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
PubChem CID51410979
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESCc1ccc(CC(=O)N[C@H](C)c2ccncc2)cc1C
InChIInChI=1S/C17H20N2O/c1-12-4-5-15(10-13(12)2)11-17(20)19-14(3)16-6-8-18-9-7-16/h4-10,14H,11H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyJJCSUSJKVDXWAB-CQSZACIVSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 39964120
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
2-(4-carbamothioylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 63590706
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8802080
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904361
2-(3,4-dimethylphenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132654687
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8759712

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide (CID 51410979) is 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide is Cc1ccc(CC(=O)N[C@H](C)c2ccncc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is JJCSUSJKVDXWAB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-4-5-15(10-13(12)2)11-17(20)19-14(3)16-6-8-18-9-7-16/h4-10,14H,11H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 51410979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).