3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C19H23N3O4S — CID 84564048

IUPAC3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)Nc1nc(C)cs1)C1CC1
InChIInChI=1S/C19H23N3O4S/c1-13-12-27-19(20-13)21-17(23)9-10-22(14-7-8-14)18(24)11-26-16-6-4-3-5-15(16)25-2/h3-6,12,14H,7-11H2,1-2H3,(H,20,21,23)
InChIKeyWBWZAADRXPECGT-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.86
Rot. Bonds9

About 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 84564048) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID84564048
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)Nc1nc(C)cs1)C1CC1
InChIInChI=1S/C19H23N3O4S/c1-13-12-27-19(20-13)21-17(23)9-10-22(14-7-8-14)18(24)11-26-16-6-4-3-5-15(16)25-2/h3-6,12,14H,7-11H2,1-2H3,(H,20,21,23)
InChIKeyWBWZAADRXPECGT-UHFFFAOYSA-N
XLogP2.86
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
CID 84565799
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 84566029
5-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-hydroxybenzoic acid
CID 84566023
N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84566672
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679260
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 24634049

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 84564048) is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is COc1ccccc1OCC(=O)N(CCC(=O)Nc1nc(C)cs1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WBWZAADRXPECGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-12-27-19(20-13)21-17(23)9-10-22(14-7-8-14)18(24)11-26-16-6-4-3-5-15(16)25-2/h3-6,12,14H,7-11H2,1-2H3,(H,20,21,23).
What are the key properties of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 389.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 84564048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).