methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate

C20H23NO4 — CID 4959303

IUPACmethyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-4-14(2)15-7-11-18(12-8-15)25-13-19(22)21-17-9-5-16(6-10-17)20(23)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyNUTBWJNEXJRAQV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.00
Rot. Bonds7

About methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate

methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate (PubChem CID 4959303) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
PubChem CID4959303
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-4-14(2)15-7-11-18(12-8-15)25-13-19(22)21-17-9-5-16(6-10-17)20(23)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyNUTBWJNEXJRAQV-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 1017628
dimethyl 5-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 1017629
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 78904121
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate (CID 4959303) is methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate is CCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate?
The InChIKey is NUTBWJNEXJRAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-14(2)15-7-11-18(12-8-15)25-13-19(22)21-17-9-5-16(6-10-17)20(23)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22).
What are the key properties of methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate?
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 4959303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).