(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C23H26N2O3 — CID 35673294

IUPAC(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2cccnc12
InChIInChI=1S/C23H26N2O3/c1-14(2)17-9-8-15(3)13-21(17)28-16(4)23(26)25-19-10-11-20(27-5)22-18(19)7-6-12-24-22/h6-14,16H,1-5H3,(H,25,26)/t16-/m0/s1
InChIKeyCXYMSCMBMZUSIK-INIZCTEOSA-N
MW378.47 g/mol
LogP5.08
Rot. Bonds6

About (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 35673294) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID35673294
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2cccnc12
InChIInChI=1S/C23H26N2O3/c1-14(2)17-9-8-15(3)13-21(17)28-16(4)23(26)25-19-10-11-20(27-5)22-18(19)7-6-12-24-22/h6-14,16H,1-5H3,(H,25,26)/t16-/m0/s1
InChIKeyCXYMSCMBMZUSIK-INIZCTEOSA-N
XLogP5.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide with MolForge

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 51065828
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
N-(2,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 112778600
(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823201
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
1-[1-(2,4-dimethylphenyl)-2-methylpropyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 133218234
1-[(1S)-1-(2,4-dimethylphenyl)-2-methylpropyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100747195
(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 26823412
1-[(1S)-1-(2,4-dimethylphenyl)propyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100733406
(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 38950691

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 35673294) is (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is COc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2cccnc12.
What is the InChIKey of (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is CXYMSCMBMZUSIK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-14(2)17-9-8-15(3)13-21(17)28-16(4)23(26)25-19-10-11-20(27-5)22-18(19)7-6-12-24-22/h6-14,16H,1-5H3,(H,25,26)/t16-/m0/s1.
What are the key properties of (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 378.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 35673294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).