N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C22H24N2O4 — CID 38011894

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOc1ccc(CCN(C)C(=O)Cc2coc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C22H24N2O4/c1-24(12-11-16-9-10-19(26-2)20(13-16)27-3)21(25)14-18-15-28-22(23-18)17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeySFECLGFJKMMAIE-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.60
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 38011894) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID38011894
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOc1ccc(CCN(C)C(=O)Cc2coc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C22H24N2O4/c1-24(12-11-16-9-10-19(26-2)20(13-16)27-3)21(25)14-18-15-28-22(23-18)17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeySFECLGFJKMMAIE-UHFFFAOYSA-N
XLogP3.60
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 42695652
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55775456
N-[[2-(3,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-N-methylbenzamide
CID 68983058
N-(2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34803649
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441815
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-phenylphenyl)urea
CID 171678550
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 42887096
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
2-(2-acetamidophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7873862

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 38011894) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is COc1ccc(CCN(C)C(=O)Cc2coc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is SFECLGFJKMMAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-24(12-11-16-9-10-19(26-2)20(13-16)27-3)21(25)14-18-15-28-22(23-18)17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 38011894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).