methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate

C21H25NO5 — CID 7704907

IUPACmethyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25NO5/c1-21(2,3)14-6-8-15(9-7-14)22-19(23)13-27-18-12-16(25-4)10-11-17(18)20(24)26-5/h6-12H,13H2,1-5H3,(H,22,23)
InChIKeyDTSWEBDEXOTASA-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.80
Rot. Bonds6

About methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate

methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate (PubChem CID 7704907) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate
PubChem CID7704907
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Namemethyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25NO5/c1-21(2,3)14-6-8-15(9-7-14)22-19(23)13-27-18-12-16(25-4)10-11-17(18)20(24)26-5/h6-12H,13H2,1-5H3,(H,22,23)
InChIKeyDTSWEBDEXOTASA-UHFFFAOYSA-N
XLogP3.80
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704975
4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 45418346
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-(2-acetyl-5-methoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2709111
[2-(4-tert-butylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8528824
N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 50878680
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704925
N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546421
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate (CID 7704907) is methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate?
The InChIKey is DTSWEBDEXOTASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-21(2,3)14-6-8-15(9-7-14)22-19(23)13-27-18-12-16(25-4)10-11-17(18)20(24)26-5/h6-12H,13H2,1-5H3,(H,22,23).
What are the key properties of methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate?
methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate has a molecular weight of 371.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate is sourced from PubChem (CID 7704907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).