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

C21H22N2O2 — CID 38950691

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1C
InChIInChI=1S/C21H22N2O2/c1-13-7-5-9-19(15(13)3)25-16(4)21(24)23-18-11-10-14(2)20-17(18)8-6-12-22-20/h5-12,16H,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyVZMKLBBUMDYGIV-MRXNPFEDSA-N
MW334.42 g/mol
LogP4.57
Rot. Bonds4

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

(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide (PubChem CID 38950691) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
PubChem CID38950691
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1C
InChIInChI=1S/C21H22N2O2/c1-13-7-5-9-19(15(13)3)25-16(4)21(24)23-18-11-10-14(2)20-17(18)8-6-12-22-20/h5-12,16H,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyVZMKLBBUMDYGIV-MRXNPFEDSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 51065828
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 16790293
2-(2,3-dimethylphenoxy)-N-pyridin-3-ylpropanamide
CID 43875980
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823201
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35673294
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-fluorophenoxy)propanamide
CID 35671687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide (CID 38950691) is (2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide is Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1C.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide?
The InChIKey is VZMKLBBUMDYGIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-7-5-9-19(15(13)3)25-16(4)21(24)23-18-11-10-14(2)20-17(18)8-6-12-22-20/h5-12,16H,1-4H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide is sourced from PubChem (CID 38950691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).