N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide

C19H27N3O3S — CID 31779571

IUPACN-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)Cc2csc(CC)n2)cc1OCC
InChIInChI=1S/C19H27N3O3S/c1-5-19-21-15(13-26-19)11-22(4)12-18(23)20-14-8-9-16(24-6-2)17(10-14)25-7-3/h8-10,13H,5-7,11-12H2,1-4H3,(H,20,23)
InChIKeyQIHHJEYFQQRPBV-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.57
Rot. Bonds10

About N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide

N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide (PubChem CID 31779571) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
PubChem CID31779571
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)Cc2csc(CC)n2)cc1OCC
InChIInChI=1S/C19H27N3O3S/c1-5-19-21-15(13-26-19)11-22(4)12-18(23)20-14-8-9-16(24-6-2)17(10-14)25-7-3/h8-10,13H,5-7,11-12H2,1-4H3,(H,20,23)
InChIKeyQIHHJEYFQQRPBV-UHFFFAOYSA-N
XLogP3.57
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779237
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 134039427
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658528
3,4,5-triethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
CID 47871180
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 135836465
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252847
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712469
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide (CID 31779571) is N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide is CCOc1ccc(NC(=O)CN(C)Cc2csc(CC)n2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is QIHHJEYFQQRPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-5-19-21-15(13-26-19)11-22(4)12-18(23)20-14-8-9-16(24-6-2)17(10-14)25-7-3/h8-10,13H,5-7,11-12H2,1-4H3,(H,20,23).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide?
N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 377.51 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 31779571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).