2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide

C21H22N2O2 — CID 4915925

IUPAC2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)COc2ccc(C)c(C)c2)c2ccccc2n1
InChIInChI=1S/C21H22N2O2/c1-14-8-9-18(10-15(14)2)25-13-21(24)22-12-17-11-16(3)23-20-7-5-4-6-19(17)20/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyJJMLFXLUNORBFY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.86
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide

2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide (PubChem CID 4915925) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
PubChem CID4915925
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)COc2ccc(C)c(C)c2)c2ccccc2n1
InChIInChI=1S/C21H22N2O2/c1-14-8-9-18(10-15(14)2)25-13-21(24)22-12-17-11-16(3)23-20-7-5-4-6-19(17)20/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyJJMLFXLUNORBFY-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 9909089
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
CID 70685044
(R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 90241758
Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Quinolin-2-Yl)methyl]-L-Tyrosinamide
CID 127021019
6-[2-[4-(2,7-dimethylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10001971
6-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one
CID 10048343
6-[2-[4-(2-phenylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10073139
6-{2-[3-methyl-4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319737
7-isoquinolin-4-yl-4H-1,4-benzoxazin-3-one
CID 44480386
6-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 44580740
6-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 44580741
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(4-pentylphenyl)acetamide
CID 137653074

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide (CID 4915925) is 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide is Cc1cc(CNC(=O)COc2ccc(C)c(C)c2)c2ccccc2n1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
The InChIKey is JJMLFXLUNORBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-8-9-18(10-15(14)2)25-13-21(24)22-12-17-11-16(3)23-20-7-5-4-6-19(17)20/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 4915925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).