(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide

C21H22N2O3 — CID 26823081

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2cccnc12
InChIInChI=1S/C21H22N2O3/c1-13-7-8-16(12-14(13)2)26-15(3)21(24)23-18-9-10-19(25-4)20-17(18)6-5-11-22-20/h5-12,15H,1-4H3,(H,23,24)/t15-/m1/s1
InChIKeyCTYKLJLGZRVACP-OAHLLOKOSA-N
MW350.42 g/mol
LogP4.27
Rot. Bonds5

About (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide

(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide (PubChem CID 26823081) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
PubChem CID26823081
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2cccnc12
InChIInChI=1S/C21H22N2O3/c1-13-7-8-16(12-14(13)2)26-15(3)21(24)23-18-9-10-19(25-4)20-17(18)6-5-11-22-20/h5-12,15H,1-4H3,(H,23,24)/t15-/m1/s1
InChIKeyCTYKLJLGZRVACP-OAHLLOKOSA-N
XLogP4.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823201
(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823186
(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35673294
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 26823412
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-ethylphenoxy)propanamide
CID 26823233
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-fluorophenoxy)propanamide
CID 35671687
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide (CID 26823081) is (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide is COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2cccnc12.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide?
The InChIKey is CTYKLJLGZRVACP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-7-8-16(12-14(13)2)26-15(3)21(24)23-18-9-10-19(25-4)20-17(18)6-5-11-22-20/h5-12,15H,1-4H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide is sourced from PubChem (CID 26823081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).