2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C22H28N2O4 — CID 7970505

IUPAC2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)16-9-11-18(12-10-16)28-15-21(26)24(4)14-20(25)23-17-7-6-8-19(13-17)27-5/h6-13H,14-15H2,1-5H3,(H,23,25)
InChIKeyGZOFUAPENBZNPH-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.47
Rot. Bonds7

About 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 7970505) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID7970505
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-22(2,3)16-9-11-18(12-10-16)28-15-21(26)24(4)14-20(25)23-17-7-6-8-19(13-17)27-5/h6-13H,14-15H2,1-5H3,(H,23,25)
InChIKeyGZOFUAPENBZNPH-UHFFFAOYSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-(3-methoxyphenyl)-2-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 7719005
N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 9012039
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418841
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
4-(2-amino-2-oxoethoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9092005
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9429102
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 34932581
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 7970505) is 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)C(=O)COc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is GZOFUAPENBZNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,3)16-9-11-18(12-10-16)28-15-21(26)24(4)14-20(25)23-17-7-6-8-19(13-17)27-5/h6-13H,14-15H2,1-5H3,(H,23,25).
What are the key properties of 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 7970505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).