(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide

C22H24N2O3 — CID 26823201

IUPAC(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c2cccnc12
InChIInChI=1S/C22H24N2O3/c1-5-26-20-11-10-19(18-7-6-12-23-21(18)20)24-22(25)16(4)27-17-9-8-14(2)15(3)13-17/h6-13,16H,5H2,1-4H3,(H,24,25)/t16-/m0/s1
InChIKeyRZLQXNLOQSVBLL-INIZCTEOSA-N
MW364.45 g/mol
LogP4.66
Rot. Bonds6

About (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide

(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide (PubChem CID 26823201) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
PubChem CID26823201
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c2cccnc12
InChIInChI=1S/C22H24N2O3/c1-5-26-20-11-10-19(18-7-6-12-23-21(18)20)24-22(25)16(4)27-17-9-8-14(2)15(3)13-17/h6-13,16H,5H2,1-4H3,(H,24,25)/t16-/m0/s1
InChIKeyRZLQXNLOQSVBLL-INIZCTEOSA-N
XLogP4.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823186
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-fluorophenoxy)propanamide
CID 35671687
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-ethylphenoxy)propanamide
CID 26823233
(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 26823412
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35673294
2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 51065828
(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 38950691
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 132655758
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide?
The IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide (CID 26823201) is (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide?
The canonical SMILES for (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide is CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c2cccnc12.
What is the InChIKey of (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide?
The InChIKey is RZLQXNLOQSVBLL-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-26-20-11-10-19(18-7-6-12-23-21(18)20)24-22(25)16(4)27-17-9-8-14(2)15(3)13-17/h6-13,16H,5H2,1-4H3,(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide?
(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide has a molecular weight of 364.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide is sourced from PubChem (CID 26823201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).