methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate

C20H23NO4 — CID 112977645

IUPACmethyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C20H23NO4/c1-20(2,3)15-8-6-10-17(12-15)25-13-18(22)21-16-9-5-7-14(11-16)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyCWGPNGKOJWHVHI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.79
Rot. Bonds5

About methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate

methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate (PubChem CID 112977645) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
PubChem CID112977645
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C20H23NO4/c1-20(2,3)15-8-6-10-17(12-15)25-13-18(22)21-16-9-5-7-14(11-16)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyCWGPNGKOJWHVHI-UHFFFAOYSA-N
XLogP3.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
CID 2592757
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977644
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 730025
methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate
CID 112978710
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
ethyl 3-[[2-[4-(2-phenylpropan-2-yl)phenoxy]acetyl]amino]benzoate
CID 19170913
dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711605
methyl 4-[[2-(3-iodophenoxy)acetyl]amino]benzoate
CID 7694499

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate (CID 112977645) is methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)COc2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate?
The InChIKey is CWGPNGKOJWHVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-20(2,3)15-8-6-10-17(12-15)25-13-18(22)21-16-9-5-7-14(11-16)19(23)24-4/h5-12H,13H2,1-4H3,(H,21,22).
What are the key properties of methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate?
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 112977645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).