N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C16H20N2O4S — CID 18097985

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2c(C)csc2=O)cc1OC
InChIInChI=1S/C16H20N2O4S/c1-11-10-23-16(20)18(11)9-15(19)17(2)8-12-5-6-13(21-3)14(7-12)22-4/h5-7,10H,8-9H2,1-4H3
InChIKeyVPSGGPDBLOZHDO-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.89
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 18097985) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID18097985
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2c(C)csc2=O)cc1OC
InChIInChI=1S/C16H20N2O4S/c1-11-10-23-16(20)18(11)9-15(19)17(2)8-12-5-6-13(21-3)14(7-12)22-4/h5-7,10H,8-9H2,1-4H3
InChIKeyVPSGGPDBLOZHDO-UHFFFAOYSA-N
XLogP1.89
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18115832
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18169198
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 71917845
2-(4-aminopiperidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907892
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 79291135
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178823
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 17499347
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725618
3-[(3-amino-4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-one
CID 43287026

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 18097985) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is COc1ccc(CN(C)C(=O)Cn2c(C)csc2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is VPSGGPDBLOZHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-10-23-16(20)18(11)9-15(19)17(2)8-12-5-6-13(21-3)14(7-12)22-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 18097985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).