2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide

C20H25NO4 — CID 112977639

IUPAC2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)cc1OC
InChIInChI=1S/C20H25NO4/c1-20(2,3)14-7-6-8-16(11-14)25-13-19(22)21-15-9-10-17(23-4)18(12-15)24-5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyONIARCZSACEWRS-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.02
Rot. Bonds6

About 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide

2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 112977639) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID112977639
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)cc1OC
InChIInChI=1S/C20H25NO4/c1-20(2,3)14-7-6-8-16(11-14)25-13-19(22)21-15-9-10-17(23-4)18(12-15)24-5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyONIARCZSACEWRS-UHFFFAOYSA-N
XLogP4.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600
1-[2-(3-tert-butylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 112972777
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
1-(3,4-dimethoxyphenyl)-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]thiourea
CID 1297891
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16564447
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 50878680
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide (CID 112977639) is 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)cc1OC.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ONIARCZSACEWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,3)14-7-6-8-16(11-14)25-13-19(22)21-15-9-10-17(23-4)18(12-15)24-5/h6-12H,13H2,1-5H3,(H,21,22).
What are the key properties of 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide?
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 343.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 112977639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).